data_9GBH
# 
_entry.id   9GBH 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9GBH         pdb_00009gbh 10.2210/pdb9gbh/pdb 
WWPDB D_1292140591 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-11-27 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9GBH 
_pdbx_database_status.recvd_initial_deposition_date   2024-07-31 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              martina.schaefer@nuvisan.com 
_pdbx_contact_author.name_first         Martina 
_pdbx_contact_author.name_last          Schaefer 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-3640-6435 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Schaefer, M.'         1  0000-0003-3640-6435 
'Fuerstner, C.'        2  0000-0001-7370-5341 
'Ackerstaff, J.'       3  ?                   
'Meier, H.'            4  ?                   
'Straub, A.'           5  ?                   
'Mittendorf, J.'       6  ?                   
'Schamberger, J.'      7  ?                   
'Boerngen, K.'         8  ?                   
'Joerissen, H.'        9  ?                   
'Zubow, D.'            10 ?                   
'Zimmermann, K.'       11 ?                   
'Tersteegen, A.'       12 ?                   
'Geiss, V.'            13 ?                   
'Hartmann, E.'         14 ?                   
'Albrecht-Kuepper, B.' 15 ?                   
'Dorleans-Juste, P.'   16 0000-0002-9863-3548 
'Lapointe, C.'         17 0000-0002-0636-7781 
'Vincent, L.'          18 0000-0001-5373-118X 
'Heitmeier, S.'        19 ?                   
'Tinel, H.'            20 ?                   
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Med.Chem. 
_citation.journal_id_ASTM           JMCMAR 
_citation.journal_id_CSD            0151 
_citation.journal_id_ISSN           0022-2623 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     
;Discovery and Preclinical Characterization of Fulacimstat (BAY 1142524), a Potent and Selective Chymase Inhibitor As a New Profibrinolytic Approach for Safe Thrombus Resolution.
;
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.jmedchem.4c01819 
_citation.pdbx_database_id_PubMed   39541507 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Furstner, C.'        1  0000-0001-7370-5341 
primary 'Ackerstaff, J.'      2  ?                   
primary 'Meier, H.'           3  ?                   
primary 'Straub, A.'          4  ?                   
primary 'Mittendorf, J.'      5  ?                   
primary 'Schamberger, J.'     6  ?                   
primary 'Schafer, M.'         7  ?                   
primary 'Borngen, K.'         8  ?                   
primary 'Jorissen, H.'        9  ?                   
primary 'Zubov, D.'           10 ?                   
primary 'Zimmermann, K.'      11 ?                   
primary 'Tersteegen, A.'      12 ?                   
primary 'Geiss, V.'           13 ?                   
primary 'Hartmann, E.'        14 ?                   
primary 'Albrecht-Kupper, B.' 15 ?                   
primary 
;D'Orleans-Juste, P.
;
16 ?                   
primary 'Lapointe, C.'        17 ?                   
primary 'Vincent, L.'         18 ?                   
primary 'Heitmeier, S.'       19 ?                   
primary 'Tinel, H.'           20 ?                   
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man Chymase 25019.871 1   3.4.21.39 'F127K, V208A, R235Q' ? ? 
2 non-polymer syn 2-acetamido-2-deoxy-beta-D-glucopyranose 221.208   3   ?         ?                     ? ? 
3 non-polymer syn 
'2-(3,4-dimethoxyphenyl)-3,5-bis(oxidanylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxylic acid' 451.353   
1   ?         ?                     ? ? 
4 non-polymer syn 'ZINC ION' 65.409    1   ?         ?                     ? ? 
5 water       nat water 18.015    126 ?         ?                     ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Alpha-chymase,Mast cell protease I' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPK
YNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQRNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDF
DHNLQLCVGNPRKTKSAFKGDSGGPLLCAGAAQGIVSYGRSDAKPPAVFTRISHYQPWINQILQAN
;
_entity_poly.pdbx_seq_one_letter_code_can   
;IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPK
YNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQRNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDF
DHNLQLCVGNPRKTKSAFKGDSGGPLLCAGAAQGIVSYGRSDAKPPAVFTRISHYQPWINQILQAN
;
_entity_poly.pdbx_strand_id                 AAA 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 2-acetamido-2-deoxy-beta-D-glucopyranose                                                                                NAG   
3 '2-(3,4-dimethoxyphenyl)-3,5-bis(oxidanylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxylic acid' A1IJV 
4 'ZINC ION'                                                                                                              ZN    
5 water                                                                                                                   HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ILE n 
1 2   ILE n 
1 3   GLY n 
1 4   GLY n 
1 5   THR n 
1 6   GLU n 
1 7   CYS n 
1 8   LYS n 
1 9   PRO n 
1 10  HIS n 
1 11  SER n 
1 12  ARG n 
1 13  PRO n 
1 14  TYR n 
1 15  MET n 
1 16  ALA n 
1 17  TYR n 
1 18  LEU n 
1 19  GLU n 
1 20  ILE n 
1 21  VAL n 
1 22  THR n 
1 23  SER n 
1 24  ASN n 
1 25  GLY n 
1 26  PRO n 
1 27  SER n 
1 28  LYS n 
1 29  PHE n 
1 30  CYS n 
1 31  GLY n 
1 32  GLY n 
1 33  PHE n 
1 34  LEU n 
1 35  ILE n 
1 36  ARG n 
1 37  ARG n 
1 38  ASN n 
1 39  PHE n 
1 40  VAL n 
1 41  LEU n 
1 42  THR n 
1 43  ALA n 
1 44  ALA n 
1 45  HIS n 
1 46  CYS n 
1 47  ALA n 
1 48  GLY n 
1 49  ARG n 
1 50  SER n 
1 51  ILE n 
1 52  THR n 
1 53  VAL n 
1 54  THR n 
1 55  LEU n 
1 56  GLY n 
1 57  ALA n 
1 58  HIS n 
1 59  ASN n 
1 60  ILE n 
1 61  THR n 
1 62  GLU n 
1 63  GLU n 
1 64  GLU n 
1 65  ASP n 
1 66  THR n 
1 67  TRP n 
1 68  GLN n 
1 69  LYS n 
1 70  LEU n 
1 71  GLU n 
1 72  VAL n 
1 73  ILE n 
1 74  LYS n 
1 75  GLN n 
1 76  PHE n 
1 77  ARG n 
1 78  HIS n 
1 79  PRO n 
1 80  LYS n 
1 81  TYR n 
1 82  ASN n 
1 83  THR n 
1 84  SER n 
1 85  THR n 
1 86  LEU n 
1 87  HIS n 
1 88  HIS n 
1 89  ASP n 
1 90  ILE n 
1 91  MET n 
1 92  LEU n 
1 93  LEU n 
1 94  LYS n 
1 95  LEU n 
1 96  LYS n 
1 97  GLU n 
1 98  LYS n 
1 99  ALA n 
1 100 SER n 
1 101 LEU n 
1 102 THR n 
1 103 LEU n 
1 104 ALA n 
1 105 VAL n 
1 106 GLY n 
1 107 THR n 
1 108 LEU n 
1 109 PRO n 
1 110 PHE n 
1 111 PRO n 
1 112 SER n 
1 113 GLN n 
1 114 ARG n 
1 115 ASN n 
1 116 PHE n 
1 117 VAL n 
1 118 PRO n 
1 119 PRO n 
1 120 GLY n 
1 121 ARG n 
1 122 MET n 
1 123 CYS n 
1 124 ARG n 
1 125 VAL n 
1 126 ALA n 
1 127 GLY n 
1 128 TRP n 
1 129 GLY n 
1 130 ARG n 
1 131 THR n 
1 132 GLY n 
1 133 VAL n 
1 134 LEU n 
1 135 LYS n 
1 136 PRO n 
1 137 GLY n 
1 138 SER n 
1 139 ASP n 
1 140 THR n 
1 141 LEU n 
1 142 GLN n 
1 143 GLU n 
1 144 VAL n 
1 145 LYS n 
1 146 LEU n 
1 147 ARG n 
1 148 LEU n 
1 149 MET n 
1 150 ASP n 
1 151 PRO n 
1 152 GLN n 
1 153 ALA n 
1 154 CYS n 
1 155 SER n 
1 156 HIS n 
1 157 PHE n 
1 158 ARG n 
1 159 ASP n 
1 160 PHE n 
1 161 ASP n 
1 162 HIS n 
1 163 ASN n 
1 164 LEU n 
1 165 GLN n 
1 166 LEU n 
1 167 CYS n 
1 168 VAL n 
1 169 GLY n 
1 170 ASN n 
1 171 PRO n 
1 172 ARG n 
1 173 LYS n 
1 174 THR n 
1 175 LYS n 
1 176 SER n 
1 177 ALA n 
1 178 PHE n 
1 179 LYS n 
1 180 GLY n 
1 181 ASP n 
1 182 SER n 
1 183 GLY n 
1 184 GLY n 
1 185 PRO n 
1 186 LEU n 
1 187 LEU n 
1 188 CYS n 
1 189 ALA n 
1 190 GLY n 
1 191 ALA n 
1 192 ALA n 
1 193 GLN n 
1 194 GLY n 
1 195 ILE n 
1 196 VAL n 
1 197 SER n 
1 198 TYR n 
1 199 GLY n 
1 200 ARG n 
1 201 SER n 
1 202 ASP n 
1 203 ALA n 
1 204 LYS n 
1 205 PRO n 
1 206 PRO n 
1 207 ALA n 
1 208 VAL n 
1 209 PHE n 
1 210 THR n 
1 211 ARG n 
1 212 ILE n 
1 213 SER n 
1 214 HIS n 
1 215 TYR n 
1 216 GLN n 
1 217 PRO n 
1 218 TRP n 
1 219 ILE n 
1 220 ASN n 
1 221 GLN n 
1 222 ILE n 
1 223 LEU n 
1 224 GLN n 
1 225 ALA n 
1 226 ASN n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   226 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'CMA1, CYH, CYM' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Insect cell expression vector pTIE1' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     266783 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1IJV non-polymer                  . 
'2-(3,4-dimethoxyphenyl)-3,5-bis(oxidanylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxylic acid' ? ? 
451.353 
ALA   'L-peptide linking'          y ALANINE ? 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking'          y ARGININE ? 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking'          y ASPARAGINE ? 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking'          y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking'          y CYSTEINE ? 'C3 H7 N O2 S'   121.158 
GLN   'L-peptide linking'          y GLUTAMINE ? 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking'          y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY   'peptide linking'            y GLYCINE ? 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking'          y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer                  . WATER ? 'H2 O'           18.015  
ILE   'L-peptide linking'          y ISOLEUCINE ? 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking'          y LEUCINE ? 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking'          y LYSINE ? 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking'          y METHIONINE ? 'C5 H11 N O2 S'  149.211 
NAG   'D-saccharide, beta linking' . 2-acetamido-2-deoxy-beta-D-glucopyranose 
;N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE
;
'C8 H15 N O6'    221.208 
PHE   'L-peptide linking'          y PHENYLALANINE ? 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking'          y PROLINE ? 'C5 H9 N O2'     115.130 
SER   'L-peptide linking'          y SERINE ? 'C3 H7 N O3'     105.093 
THR   'L-peptide linking'          y THREONINE ? 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking'          y TRYPTOPHAN ? 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking'          y TYROSINE ? 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking'          y VALINE ? 'C5 H11 N O2'    117.146 
ZN    non-polymer                  . 'ZINC ION' ? 'Zn 2'           65.409  
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
NAG 'CONDENSED IUPAC CARBOHYDRATE SYMBOL' GMML     1.0 DGlcpNAcb                      
NAG 'COMMON NAME'                         GMML     1.0 N-acetyl-b-D-glucopyranosamine 
NAG 'IUPAC CARBOHYDRATE SYMBOL'           PDB-CARE 1.0 b-D-GlcpNAc                    
NAG 'SNFG CARBOHYDRATE SYMBOL'            GMML     1.0 GlcNAc                         
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   ILE 1   16  16  ILE ILE AAA . n 
A 1 2   ILE 2   17  17  ILE ILE AAA . n 
A 1 3   GLY 3   18  18  GLY GLY AAA . n 
A 1 4   GLY 4   19  19  GLY GLY AAA . n 
A 1 5   THR 5   20  20  THR THR AAA . n 
A 1 6   GLU 6   21  21  GLU GLU AAA . n 
A 1 7   CYS 7   22  22  CYS CYS AAA . n 
A 1 8   LYS 8   23  23  LYS LYS AAA . n 
A 1 9   PRO 9   24  24  PRO PRO AAA . n 
A 1 10  HIS 10  25  25  HIS HIS AAA . n 
A 1 11  SER 11  26  26  SER SER AAA . n 
A 1 12  ARG 12  27  27  ARG ARG AAA . n 
A 1 13  PRO 13  28  28  PRO PRO AAA . n 
A 1 14  TYR 14  29  29  TYR TYR AAA . n 
A 1 15  MET 15  30  30  MET MET AAA . n 
A 1 16  ALA 16  31  31  ALA ALA AAA . n 
A 1 17  TYR 17  32  32  TYR TYR AAA . n 
A 1 18  LEU 18  33  33  LEU LEU AAA . n 
A 1 19  GLU 19  34  34  GLU GLU AAA . n 
A 1 20  ILE 20  35  35  ILE ILE AAA . n 
A 1 21  VAL 21  36  36  VAL VAL AAA . n 
A 1 22  THR 22  36  36  THR THR AAA A n 
A 1 23  SER 23  36  36  SER SER AAA B n 
A 1 24  ASN 24  36  36  ASN ASN AAA C n 
A 1 25  GLY 25  37  37  GLY GLY AAA . n 
A 1 26  PRO 26  38  38  PRO PRO AAA . n 
A 1 27  SER 27  39  39  SER SER AAA . n 
A 1 28  LYS 28  40  40  LYS LYS AAA . n 
A 1 29  PHE 29  41  41  PHE PHE AAA . n 
A 1 30  CYS 30  42  42  CYS CYS AAA . n 
A 1 31  GLY 31  43  43  GLY GLY AAA . n 
A 1 32  GLY 32  44  44  GLY GLY AAA . n 
A 1 33  PHE 33  45  45  PHE PHE AAA . n 
A 1 34  LEU 34  46  46  LEU LEU AAA . n 
A 1 35  ILE 35  47  47  ILE ILE AAA . n 
A 1 36  ARG 36  48  48  ARG ARG AAA . n 
A 1 37  ARG 37  49  49  ARG ARG AAA . n 
A 1 38  ASN 38  50  50  ASN ASN AAA . n 
A 1 39  PHE 39  51  51  PHE PHE AAA . n 
A 1 40  VAL 40  52  52  VAL VAL AAA . n 
A 1 41  LEU 41  53  53  LEU LEU AAA . n 
A 1 42  THR 42  54  54  THR THR AAA . n 
A 1 43  ALA 43  55  55  ALA ALA AAA . n 
A 1 44  ALA 44  56  56  ALA ALA AAA . n 
A 1 45  HIS 45  57  57  HIS HIS AAA . n 
A 1 46  CYS 46  58  58  CYS CYS AAA . n 
A 1 47  ALA 47  59  59  ALA ALA AAA . n 
A 1 48  GLY 48  60  60  GLY GLY AAA . n 
A 1 49  ARG 49  61  61  ARG ARG AAA . n 
A 1 50  SER 50  63  63  SER SER AAA . n 
A 1 51  ILE 51  64  64  ILE ILE AAA . n 
A 1 52  THR 52  65  65  THR THR AAA . n 
A 1 53  VAL 53  66  66  VAL VAL AAA . n 
A 1 54  THR 54  67  67  THR THR AAA . n 
A 1 55  LEU 55  68  68  LEU LEU AAA . n 
A 1 56  GLY 56  69  69  GLY GLY AAA . n 
A 1 57  ALA 57  70  70  ALA ALA AAA . n 
A 1 58  HIS 58  71  71  HIS HIS AAA . n 
A 1 59  ASN 59  72  72  ASN ASN AAA . n 
A 1 60  ILE 60  73  73  ILE ILE AAA . n 
A 1 61  THR 61  74  74  THR THR AAA . n 
A 1 62  GLU 62  75  75  GLU GLU AAA . n 
A 1 63  GLU 63  77  77  GLU GLU AAA . n 
A 1 64  GLU 64  78  78  GLU GLU AAA . n 
A 1 65  ASP 65  79  79  ASP ASP AAA . n 
A 1 66  THR 66  79  79  THR THR AAA A n 
A 1 67  TRP 67  80  80  TRP TRP AAA . n 
A 1 68  GLN 68  81  81  GLN GLN AAA . n 
A 1 69  LYS 69  82  82  LYS LYS AAA . n 
A 1 70  LEU 70  83  83  LEU LEU AAA . n 
A 1 71  GLU 71  84  84  GLU GLU AAA . n 
A 1 72  VAL 72  85  85  VAL VAL AAA . n 
A 1 73  ILE 73  86  86  ILE ILE AAA . n 
A 1 74  LYS 74  87  87  LYS LYS AAA . n 
A 1 75  GLN 75  88  88  GLN GLN AAA . n 
A 1 76  PHE 76  89  89  PHE PHE AAA . n 
A 1 77  ARG 77  90  90  ARG ARG AAA . n 
A 1 78  HIS 78  91  91  HIS HIS AAA . n 
A 1 79  PRO 79  92  92  PRO PRO AAA . n 
A 1 80  LYS 80  93  93  LYS LYS AAA . n 
A 1 81  TYR 81  94  94  TYR TYR AAA . n 
A 1 82  ASN 82  95  95  ASN ASN AAA . n 
A 1 83  THR 83  96  96  THR THR AAA . n 
A 1 84  SER 84  97  97  SER SER AAA . n 
A 1 85  THR 85  98  98  THR THR AAA . n 
A 1 86  LEU 86  99  99  LEU LEU AAA . n 
A 1 87  HIS 87  100 100 HIS HIS AAA . n 
A 1 88  HIS 88  101 101 HIS HIS AAA . n 
A 1 89  ASP 89  102 102 ASP ASP AAA . n 
A 1 90  ILE 90  103 103 ILE ILE AAA . n 
A 1 91  MET 91  104 104 MET MET AAA . n 
A 1 92  LEU 92  105 105 LEU LEU AAA . n 
A 1 93  LEU 93  106 106 LEU LEU AAA . n 
A 1 94  LYS 94  107 107 LYS LYS AAA . n 
A 1 95  LEU 95  108 108 LEU LEU AAA . n 
A 1 96  LYS 96  109 109 LYS LYS AAA . n 
A 1 97  GLU 97  110 110 GLU GLU AAA . n 
A 1 98  LYS 98  111 111 LYS LYS AAA . n 
A 1 99  ALA 99  112 112 ALA ALA AAA . n 
A 1 100 SER 100 113 113 SER SER AAA . n 
A 1 101 LEU 101 114 114 LEU LEU AAA . n 
A 1 102 THR 102 115 115 THR THR AAA . n 
A 1 103 LEU 103 116 116 LEU LEU AAA . n 
A 1 104 ALA 104 117 117 ALA ALA AAA . n 
A 1 105 VAL 105 118 118 VAL VAL AAA . n 
A 1 106 GLY 106 119 119 GLY GLY AAA . n 
A 1 107 THR 107 120 120 THR THR AAA . n 
A 1 108 LEU 108 121 121 LEU LEU AAA . n 
A 1 109 PRO 109 122 ?   ?   ?   AAA . n 
A 1 110 PHE 110 123 ?   ?   ?   AAA . n 
A 1 111 PRO 111 124 ?   ?   ?   AAA . n 
A 1 112 SER 112 125 ?   ?   ?   AAA . n 
A 1 113 GLN 113 126 ?   ?   ?   AAA . n 
A 1 114 ARG 114 127 ?   ?   ?   AAA . n 
A 1 115 ASN 115 128 ?   ?   ?   AAA . n 
A 1 116 PHE 116 129 ?   ?   ?   AAA . n 
A 1 117 VAL 117 130 ?   ?   ?   AAA . n 
A 1 118 PRO 118 131 ?   ?   ?   AAA . n 
A 1 119 PRO 119 132 ?   ?   ?   AAA . n 
A 1 120 GLY 120 133 133 GLY GLY AAA . n 
A 1 121 ARG 121 134 134 ARG ARG AAA . n 
A 1 122 MET 122 135 135 MET MET AAA . n 
A 1 123 CYS 123 136 136 CYS CYS AAA . n 
A 1 124 ARG 124 137 137 ARG ARG AAA . n 
A 1 125 VAL 125 138 138 VAL VAL AAA . n 
A 1 126 ALA 126 139 139 ALA ALA AAA . n 
A 1 127 GLY 127 140 140 GLY GLY AAA . n 
A 1 128 TRP 128 141 141 TRP TRP AAA . n 
A 1 129 GLY 129 142 142 GLY GLY AAA . n 
A 1 130 ARG 130 143 143 ARG ARG AAA . n 
A 1 131 THR 131 144 144 THR THR AAA . n 
A 1 132 GLY 132 145 145 GLY GLY AAA . n 
A 1 133 VAL 133 146 146 VAL VAL AAA . n 
A 1 134 LEU 134 147 147 LEU LEU AAA . n 
A 1 135 LYS 135 148 148 LYS LYS AAA . n 
A 1 136 PRO 136 150 150 PRO PRO AAA . n 
A 1 137 GLY 137 151 151 GLY GLY AAA . n 
A 1 138 SER 138 152 152 SER SER AAA . n 
A 1 139 ASP 139 153 153 ASP ASP AAA . n 
A 1 140 THR 140 154 154 THR THR AAA . n 
A 1 141 LEU 141 155 155 LEU LEU AAA . n 
A 1 142 GLN 142 156 156 GLN GLN AAA . n 
A 1 143 GLU 143 157 157 GLU GLU AAA . n 
A 1 144 VAL 144 158 158 VAL VAL AAA . n 
A 1 145 LYS 145 159 159 LYS LYS AAA . n 
A 1 146 LEU 146 160 160 LEU LEU AAA . n 
A 1 147 ARG 147 161 161 ARG ARG AAA . n 
A 1 148 LEU 148 162 162 LEU LEU AAA . n 
A 1 149 MET 149 163 163 MET MET AAA . n 
A 1 150 ASP 150 164 164 ASP ASP AAA . n 
A 1 151 PRO 151 165 165 PRO PRO AAA . n 
A 1 152 GLN 152 166 166 GLN GLN AAA . n 
A 1 153 ALA 153 167 167 ALA ALA AAA . n 
A 1 154 CYS 154 168 168 CYS CYS AAA . n 
A 1 155 SER 155 169 169 SER SER AAA . n 
A 1 156 HIS 156 172 172 HIS HIS AAA . n 
A 1 157 PHE 157 173 173 PHE PHE AAA . n 
A 1 158 ARG 158 174 174 ARG ARG AAA . n 
A 1 159 ASP 159 175 175 ASP ASP AAA . n 
A 1 160 PHE 160 176 176 PHE PHE AAA . n 
A 1 161 ASP 161 177 177 ASP ASP AAA . n 
A 1 162 HIS 162 177 177 HIS HIS AAA A n 
A 1 163 ASN 163 178 178 ASN ASN AAA . n 
A 1 164 LEU 164 179 179 LEU LEU AAA . n 
A 1 165 GLN 165 180 180 GLN GLN AAA . n 
A 1 166 LEU 166 181 181 LEU LEU AAA . n 
A 1 167 CYS 167 182 182 CYS CYS AAA . n 
A 1 168 VAL 168 183 183 VAL VAL AAA . n 
A 1 169 GLY 169 184 184 GLY GLY AAA . n 
A 1 170 ASN 170 185 185 ASN ASN AAA . n 
A 1 171 PRO 171 185 185 PRO PRO AAA A n 
A 1 172 ARG 172 185 185 ARG ARG AAA B n 
A 1 173 LYS 173 186 186 LYS LYS AAA . n 
A 1 174 THR 174 187 187 THR THR AAA . n 
A 1 175 LYS 175 188 188 LYS LYS AAA . n 
A 1 176 SER 176 189 189 SER SER AAA . n 
A 1 177 ALA 177 190 190 ALA ALA AAA . n 
A 1 178 PHE 178 191 191 PHE PHE AAA . n 
A 1 179 LYS 179 192 192 LYS LYS AAA . n 
A 1 180 GLY 180 193 193 GLY GLY AAA . n 
A 1 181 ASP 181 194 194 ASP ASP AAA . n 
A 1 182 SER 182 195 195 SER SER AAA . n 
A 1 183 GLY 183 196 196 GLY GLY AAA . n 
A 1 184 GLY 184 197 197 GLY GLY AAA . n 
A 1 185 PRO 185 198 198 PRO PRO AAA . n 
A 1 186 LEU 186 199 199 LEU LEU AAA . n 
A 1 187 LEU 187 200 200 LEU LEU AAA . n 
A 1 188 CYS 188 201 201 CYS CYS AAA . n 
A 1 189 ALA 189 202 202 ALA ALA AAA . n 
A 1 190 GLY 190 207 207 GLY GLY AAA . n 
A 1 191 ALA 191 208 208 ALA ALA AAA . n 
A 1 192 ALA 192 209 209 ALA ALA AAA . n 
A 1 193 GLN 193 210 210 GLN GLN AAA . n 
A 1 194 GLY 194 211 211 GLY GLY AAA . n 
A 1 195 ILE 195 212 212 ILE ILE AAA . n 
A 1 196 VAL 196 213 213 VAL VAL AAA . n 
A 1 197 SER 197 214 214 SER SER AAA . n 
A 1 198 TYR 198 215 215 TYR TYR AAA . n 
A 1 199 GLY 199 216 216 GLY GLY AAA . n 
A 1 200 ARG 200 217 217 ARG ARG AAA . n 
A 1 201 SER 201 218 218 SER SER AAA . n 
A 1 202 ASP 202 219 219 ASP ASP AAA . n 
A 1 203 ALA 203 220 220 ALA ALA AAA . n 
A 1 204 LYS 204 221 221 LYS LYS AAA . n 
A 1 205 PRO 205 224 224 PRO PRO AAA . n 
A 1 206 PRO 206 225 225 PRO PRO AAA . n 
A 1 207 ALA 207 226 226 ALA ALA AAA . n 
A 1 208 VAL 208 227 227 VAL VAL AAA . n 
A 1 209 PHE 209 228 228 PHE PHE AAA . n 
A 1 210 THR 210 229 229 THR THR AAA . n 
A 1 211 ARG 211 230 230 ARG ARG AAA . n 
A 1 212 ILE 212 231 231 ILE ILE AAA . n 
A 1 213 SER 213 232 232 SER SER AAA . n 
A 1 214 HIS 214 233 233 HIS HIS AAA . n 
A 1 215 TYR 215 234 234 TYR TYR AAA . n 
A 1 216 GLN 216 235 235 GLN GLN AAA . n 
A 1 217 PRO 217 236 236 PRO PRO AAA . n 
A 1 218 TRP 218 237 237 TRP TRP AAA . n 
A 1 219 ILE 219 238 238 ILE ILE AAA . n 
A 1 220 ASN 220 239 239 ASN ASN AAA . n 
A 1 221 GLN 221 240 240 GLN GLN AAA . n 
A 1 222 ILE 222 241 241 ILE ILE AAA . n 
A 1 223 LEU 223 242 242 LEU LEU AAA . n 
A 1 224 GLN 224 243 243 GLN GLN AAA . n 
A 1 225 ALA 225 244 244 ALA ALA AAA . n 
A 1 226 ASN 226 245 245 ASN ASN AAA . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1IJV 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1IJV 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 NAG   1   301 302 NAG   NAG AAA . 
C 2 NAG   1   302 301 NAG   NAG AAA . 
D 2 NAG   1   303 303 NAG   NAG AAA . 
E 3 A1IJV 1   304 301 A1IJV LIG AAA . 
F 4 ZN    1   305 1   ZN    ZN  AAA . 
G 5 HOH   1   401 120 HOH   HOH AAA . 
G 5 HOH   2   402 93  HOH   HOH AAA . 
G 5 HOH   3   403 73  HOH   HOH AAA . 
G 5 HOH   4   404 87  HOH   HOH AAA . 
G 5 HOH   5   405 107 HOH   HOH AAA . 
G 5 HOH   6   406 4   HOH   HOH AAA . 
G 5 HOH   7   407 9   HOH   HOH AAA . 
G 5 HOH   8   408 80  HOH   HOH AAA . 
G 5 HOH   9   409 52  HOH   HOH AAA . 
G 5 HOH   10  410 14  HOH   HOH AAA . 
G 5 HOH   11  411 19  HOH   HOH AAA . 
G 5 HOH   12  412 124 HOH   HOH AAA . 
G 5 HOH   13  413 37  HOH   HOH AAA . 
G 5 HOH   14  414 31  HOH   HOH AAA . 
G 5 HOH   15  415 84  HOH   HOH AAA . 
G 5 HOH   16  416 65  HOH   HOH AAA . 
G 5 HOH   17  417 58  HOH   HOH AAA . 
G 5 HOH   18  418 95  HOH   HOH AAA . 
G 5 HOH   19  419 35  HOH   HOH AAA . 
G 5 HOH   20  420 81  HOH   HOH AAA . 
G 5 HOH   21  421 18  HOH   HOH AAA . 
G 5 HOH   22  422 21  HOH   HOH AAA . 
G 5 HOH   23  423 88  HOH   HOH AAA . 
G 5 HOH   24  424 55  HOH   HOH AAA . 
G 5 HOH   25  425 11  HOH   HOH AAA . 
G 5 HOH   26  426 115 HOH   HOH AAA . 
G 5 HOH   27  427 91  HOH   HOH AAA . 
G 5 HOH   28  428 111 HOH   HOH AAA . 
G 5 HOH   29  429 74  HOH   HOH AAA . 
G 5 HOH   30  430 7   HOH   HOH AAA . 
G 5 HOH   31  431 102 HOH   HOH AAA . 
G 5 HOH   32  432 45  HOH   HOH AAA . 
G 5 HOH   33  433 10  HOH   HOH AAA . 
G 5 HOH   34  434 26  HOH   HOH AAA . 
G 5 HOH   35  435 22  HOH   HOH AAA . 
G 5 HOH   36  436 6   HOH   HOH AAA . 
G 5 HOH   37  437 17  HOH   HOH AAA . 
G 5 HOH   38  438 27  HOH   HOH AAA . 
G 5 HOH   39  439 86  HOH   HOH AAA . 
G 5 HOH   40  440 113 HOH   HOH AAA . 
G 5 HOH   41  441 104 HOH   HOH AAA . 
G 5 HOH   42  442 51  HOH   HOH AAA . 
G 5 HOH   43  443 3   HOH   HOH AAA . 
G 5 HOH   44  444 56  HOH   HOH AAA . 
G 5 HOH   45  445 44  HOH   HOH AAA . 
G 5 HOH   46  446 79  HOH   HOH AAA . 
G 5 HOH   47  447 47  HOH   HOH AAA . 
G 5 HOH   48  448 41  HOH   HOH AAA . 
G 5 HOH   49  449 32  HOH   HOH AAA . 
G 5 HOH   50  450 29  HOH   HOH AAA . 
G 5 HOH   51  451 109 HOH   HOH AAA . 
G 5 HOH   52  452 98  HOH   HOH AAA . 
G 5 HOH   53  453 57  HOH   HOH AAA . 
G 5 HOH   54  454 25  HOH   HOH AAA . 
G 5 HOH   55  455 36  HOH   HOH AAA . 
G 5 HOH   56  456 75  HOH   HOH AAA . 
G 5 HOH   57  457 108 HOH   HOH AAA . 
G 5 HOH   58  458 28  HOH   HOH AAA . 
G 5 HOH   59  459 70  HOH   HOH AAA . 
G 5 HOH   60  460 33  HOH   HOH AAA . 
G 5 HOH   61  461 49  HOH   HOH AAA . 
G 5 HOH   62  462 68  HOH   HOH AAA . 
G 5 HOH   63  463 1   HOH   HOH AAA . 
G 5 HOH   64  464 96  HOH   HOH AAA . 
G 5 HOH   65  465 23  HOH   HOH AAA . 
G 5 HOH   66  466 16  HOH   HOH AAA . 
G 5 HOH   67  467 116 HOH   HOH AAA . 
G 5 HOH   68  468 99  HOH   HOH AAA . 
G 5 HOH   69  469 126 HOH   HOH AAA . 
G 5 HOH   70  470 59  HOH   HOH AAA . 
G 5 HOH   71  471 77  HOH   HOH AAA . 
G 5 HOH   72  472 90  HOH   HOH AAA . 
G 5 HOH   73  473 67  HOH   HOH AAA . 
G 5 HOH   74  474 53  HOH   HOH AAA . 
G 5 HOH   75  475 2   HOH   HOH AAA . 
G 5 HOH   76  476 40  HOH   HOH AAA . 
G 5 HOH   77  477 50  HOH   HOH AAA . 
G 5 HOH   78  478 34  HOH   HOH AAA . 
G 5 HOH   79  479 38  HOH   HOH AAA . 
G 5 HOH   80  480 48  HOH   HOH AAA . 
G 5 HOH   81  481 101 HOH   HOH AAA . 
G 5 HOH   82  482 13  HOH   HOH AAA . 
G 5 HOH   83  483 15  HOH   HOH AAA . 
G 5 HOH   84  484 62  HOH   HOH AAA . 
G 5 HOH   85  485 125 HOH   HOH AAA . 
G 5 HOH   86  486 122 HOH   HOH AAA . 
G 5 HOH   87  487 61  HOH   HOH AAA . 
G 5 HOH   88  488 24  HOH   HOH AAA . 
G 5 HOH   89  489 121 HOH   HOH AAA . 
G 5 HOH   90  490 119 HOH   HOH AAA . 
G 5 HOH   91  491 97  HOH   HOH AAA . 
G 5 HOH   92  492 118 HOH   HOH AAA . 
G 5 HOH   93  493 12  HOH   HOH AAA . 
G 5 HOH   94  494 20  HOH   HOH AAA . 
G 5 HOH   95  495 54  HOH   HOH AAA . 
G 5 HOH   96  496 94  HOH   HOH AAA . 
G 5 HOH   97  497 5   HOH   HOH AAA . 
G 5 HOH   98  498 46  HOH   HOH AAA . 
G 5 HOH   99  499 64  HOH   HOH AAA . 
G 5 HOH   100 500 123 HOH   HOH AAA . 
G 5 HOH   101 501 71  HOH   HOH AAA . 
G 5 HOH   102 502 72  HOH   HOH AAA . 
G 5 HOH   103 503 63  HOH   HOH AAA . 
G 5 HOH   104 504 43  HOH   HOH AAA . 
G 5 HOH   105 505 78  HOH   HOH AAA . 
G 5 HOH   106 506 100 HOH   HOH AAA . 
G 5 HOH   107 507 69  HOH   HOH AAA . 
G 5 HOH   108 508 110 HOH   HOH AAA . 
G 5 HOH   109 509 105 HOH   HOH AAA . 
G 5 HOH   110 510 30  HOH   HOH AAA . 
G 5 HOH   111 511 39  HOH   HOH AAA . 
G 5 HOH   112 512 85  HOH   HOH AAA . 
G 5 HOH   113 513 66  HOH   HOH AAA . 
G 5 HOH   114 514 83  HOH   HOH AAA . 
G 5 HOH   115 515 8   HOH   HOH AAA . 
G 5 HOH   116 516 106 HOH   HOH AAA . 
G 5 HOH   117 517 117 HOH   HOH AAA . 
G 5 HOH   118 518 60  HOH   HOH AAA . 
G 5 HOH   119 519 82  HOH   HOH AAA . 
G 5 HOH   120 520 103 HOH   HOH AAA . 
G 5 HOH   121 521 76  HOH   HOH AAA . 
G 5 HOH   122 522 42  HOH   HOH AAA . 
G 5 HOH   123 523 112 HOH   HOH AAA . 
G 5 HOH   124 524 92  HOH   HOH AAA . 
G 5 HOH   125 525 114 HOH   HOH AAA . 
G 5 HOH   126 526 89  HOH   HOH AAA . 
# 
_pdbx_unobs_or_zero_occ_atoms.id               1 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num    1 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag     N 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag   1 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id     AAA 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id     NAG 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id      303 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code     ? 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id     O1 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id     ? 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id    D 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id    NAG 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id     1 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id    O1 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0267 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? MOSFLM ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? SCALA  ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GBH 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     74.093 
_cell.length_a_esd                 ? 
_cell.length_b                     74.093 
_cell.length_b_esd                 ? 
_cell.length_c                     49.647 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9GBH 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                78 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 43' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9GBH 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.72 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          54.83 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '0.01M ZnCl2, 0.1M TRIS at pH 8 and 20% PEG 6000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     'IMAGE PLATE' 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'MAR scanner 345 mm plate' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2008-04-07 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.541870 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU MICROMAX-007 HF' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.541870 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9GBH 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.36 
_reflns.d_resolution_low                               37.04 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     574082 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           97.49 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                13.85 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          4.5929 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   ? 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.113 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.36 
_reflns_shell.d_res_low                                     2.49 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             18908 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.27 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -0.253 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -0.253 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            0.506 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               43.315 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.875 
_refine.correlation_coeff_Fo_to_Fc_free          0.713 
_refine.details                                  'Hydrogens have been used if present in the input file' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9GBH 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.375 
_refine.ls_d_res_low                             37.04 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     10987 
_refine.ls_number_reflns_R_free                  528 
_refine.ls_number_reflns_R_work                  10459 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.592 
_refine.ls_percent_reflns_R_free                 4.806 
_refine.ls_R_factor_all                          0.206 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2740 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2021 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.390 
_refine.pdbx_overall_ESU_R_Free                  0.281 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1666 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         75 
_refine_hist.number_atoms_solvent             126 
_refine_hist.number_atoms_total               1867 
_refine_hist.d_res_high                       2.375 
_refine_hist.d_res_low                        37.04 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.012  0.012  1795 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 1.584  1.701  2426 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 7.493  5.000  215  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 29.857 20.833 84   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 15.019 15.000 300  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 19.857 15.000 13   ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.072  0.200  238  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.014  0.020  1317 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.276  0.200  734  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.312  0.200  1197 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.180  0.200  108  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.119  0.200  2    ? r_metal_ion_refined            ? ? 
'X-RAY DIFFRACTION' ? 0.231  0.200  27   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.128  0.200  13   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 0.074  0.200  1    ? r_symmetry_metal_ion_refined   ? ? 
'X-RAY DIFFRACTION' ? 3.030  3.993  860  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.178  5.983  1069 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.151  4.560  935  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.316  6.632  1355 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 7.466  55.280 2630 ? r_lrange_it                    ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.375  2.437  . . 32 763 97.7860  . . . . 0.179 . . . . . . . . . . . 0.316 
'X-RAY DIFFRACTION' 2.437  2.503  . . 26 743 99.3540  . . . . 0.170 . . . . . . . . . . . 0.308 
'X-RAY DIFFRACTION' 2.503  2.575  . . 40 730 100.0000 . . . . 0.178 . . . . . . . . . . . 0.248 
'X-RAY DIFFRACTION' 2.575  2.654  . . 46 687 99.7279  . . . . 0.180 . . . . . . . . . . . 0.318 
'X-RAY DIFFRACTION' 2.654  2.741  . . 34 682 100.0000 . . . . 0.184 . . . . . . . . . . . 0.295 
'X-RAY DIFFRACTION' 2.741  2.836  . . 33 666 99.8571  . . . . 0.165 . . . . . . . . . . . 0.248 
'X-RAY DIFFRACTION' 2.836  2.943  . . 35 641 100.0000 . . . . 0.167 . . . . . . . . . . . 0.236 
'X-RAY DIFFRACTION' 2.943  3.062  . . 31 618 100.0000 . . . . 0.167 . . . . . . . . . . . 0.272 
'X-RAY DIFFRACTION' 3.062  3.197  . . 26 598 99.8400  . . . . 0.173 . . . . . . . . . . . 0.342 
'X-RAY DIFFRACTION' 3.197  3.352  . . 38 556 100.0000 . . . . 0.203 . . . . . . . . . . . 0.264 
'X-RAY DIFFRACTION' 3.352  3.532  . . 27 559 99.8296  . . . . 0.249 . . . . . . . . . . . 0.260 
'X-RAY DIFFRACTION' 3.532  3.744  . . 23 506 99.8113  . . . . 0.292 . . . . . . . . . . . 0.222 
'X-RAY DIFFRACTION' 3.744  4.000  . . 19 462 97.3684  . . . . 0.293 . . . . . . . . . . . 0.487 
'X-RAY DIFFRACTION' 4.000  4.316  . . 14 463 100.0000 . . . . 0.192 . . . . . . . . . . . 0.247 
'X-RAY DIFFRACTION' 4.316  4.722  . . 29 406 100.0000 . . . . 0.161 . . . . . . . . . . . 0.258 
'X-RAY DIFFRACTION' 4.722  5.268  . . 18 388 100.0000 . . . . 0.164 . . . . . . . . . . . 0.165 
'X-RAY DIFFRACTION' 5.268  6.063  . . 15 334 100.0000 . . . . 0.187 . . . . . . . . . . . 0.252 
'X-RAY DIFFRACTION' 6.063  7.376  . . 16 289 100.0000 . . . . 0.205 . . . . . . . . . . . 0.176 
'X-RAY DIFFRACTION' 7.376  10.231 . . 12 231 100.0000 . . . . 0.175 . . . . . . . . . . . 0.283 
'X-RAY DIFFRACTION' 10.231 37.04  . . 14 137 100.0000 . . . . 0.291 . . . . . . . . . . . 0.183 
# 
_struct.entry_id                     9GBH 
_struct.title                        'CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH COMPOUND1' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        9GBH 
_struct_keywords.text            'SERINE PROTEASE, GLYCOSYLATED, MAST CELLS, SECRETED, HYDROLASE, HYDROLASE INHIBITOR COMPLEX' 
_struct_keywords.pdbx_keywords   HYDROLASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 2 ? 
D N N 2 ? 
E N N 3 ? 
F N N 4 ? 
G N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    CMA1_HUMAN 
_struct_ref.pdbx_db_accession          P23946 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPK
YNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQFNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDF
DHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
;
_struct_ref.pdbx_align_begin           22 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9GBH 
_struct_ref_seq.pdbx_strand_id                AAA 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 226 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P23946 
_struct_ref_seq.db_align_beg                  22 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  247 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       16 
_struct_ref_seq.pdbx_auth_seq_align_end       245 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9GBH ARG AAA 114 ? UNP P23946 PHE 135 'engineered mutation' 127 1 
1 9GBH ALA AAA 191 ? UNP P23946 VAL 212 'engineered mutation' 208 2 
1 9GBH GLN AAA 216 ? UNP P23946 ARG 237 'engineered mutation' 235 3 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 680   ? 
1 MORE         -13   ? 
1 'SSA (A^2)'  10990 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ALA A 43  ? ALA A 47  ? ALA AAA 55  ALA AAA 59  5 ? 5  
HELX_P HELX_P2 AA2 ASP A 150 ? SER A 155 ? ASP AAA 164 SER AAA 169 5 ? 6  
HELX_P HELX_P3 AA3 TYR A 215 ? ASN A 226 ? TYR AAA 234 ASN AAA 245 1 ? 12 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ?   ? A CYS 30  SG  ? ? ? 1_555 A CYS 46  SG ? ? AAA CYS 42  AAA CYS 58  1_555 ? ? ? ? ? ? ? 1.990 ? ? 
disulf2 disulf ?   ? A CYS 123 SG  ? ? ? 1_555 A CYS 188 SG ? ? AAA CYS 136 AAA CYS 201 1_555 ? ? ? ? ? ? ? 2.021 ? ? 
disulf3 disulf ?   ? A CYS 154 SG  ? ? ? 1_555 A CYS 167 SG ? ? AAA CYS 168 AAA CYS 182 1_555 ? ? ? ? ? ? ? 2.033 ? ? 
covale1 covale one ? A ASN 59  ND2 ? ? ? 1_555 C NAG .   C1 ? ? AAA ASN 72  AAA NAG 302 1_555 ? ? ? ? ? ? ? 1.445 ? 
N-Glycosylation 
covale2 covale one ? A ASN 82  ND2 ? ? ? 1_555 B NAG .   C1 ? ? AAA ASN 95  AAA NAG 301 1_555 ? ? ? ? ? ? ? 1.431 ? 
N-Glycosylation 
metalc1 metalc ?   ? A HIS 10  NE2 ? ? ? 1_555 F ZN  .   ZN ? ? AAA HIS 25  AAA ZN  305 1_555 ? ? ? ? ? ? ? 1.978 ? ? 
metalc2 metalc ?   ? A GLU 64  OE2 ? ? ? 1_555 F ZN  .   ZN ? ? AAA GLU 78  AAA ZN  305 1_555 ? ? ? ? ? ? ? 1.874 ? ? 
metalc3 metalc ?   ? A GLU 71  OE2 ? ? ? 1_555 F ZN  .   ZN ? ? AAA GLU 84  AAA ZN  305 2_545 ? ? ? ? ? ? ? 1.946 ? ? 
metalc4 metalc ?   ? A LYS 96  NZ  A ? ? 1_555 F ZN  .   ZN ? ? AAA LYS 109 AAA ZN  305 2_545 ? ? ? ? ? ? ? 2.164 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
covale ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 NE2 ? A HIS 10 ? AAA HIS 25 ? 1_555 ZN ? F ZN . ? AAA ZN 305 ? 1_555 OE2 ? A GLU 64 ? AAA GLU 78  ? 1_555 116.6 ? 
2 NE2 ? A HIS 10 ? AAA HIS 25 ? 1_555 ZN ? F ZN . ? AAA ZN 305 ? 1_555 OE2 ? A GLU 71 ? AAA GLU 84  ? 1_555 70.4  ? 
3 OE2 ? A GLU 64 ? AAA GLU 78 ? 1_555 ZN ? F ZN . ? AAA ZN 305 ? 1_555 OE2 ? A GLU 71 ? AAA GLU 84  ? 1_555 47.8  ? 
4 NE2 ? A HIS 10 ? AAA HIS 25 ? 1_555 ZN ? F ZN . ? AAA ZN 305 ? 1_555 NZ  A A LYS 96 ? AAA LYS 109 ? 1_555 71.6  ? 
5 OE2 ? A GLU 64 ? AAA GLU 78 ? 1_555 ZN ? F ZN . ? AAA ZN 305 ? 1_555 NZ  A A LYS 96 ? AAA LYS 109 ? 1_555 49.0  ? 
6 OE2 ? A GLU 71 ? AAA GLU 84 ? 1_555 ZN ? F ZN . ? AAA ZN 305 ? 1_555 NZ  A A LYS 96 ? AAA LYS 109 ? 1_555 7.4   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 NAG B .   ? ASN A 82  ? NAG AAA 301 ? 1_555 ASN AAA 95  ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate       
2 NAG C .   ? ASN A 59  ? NAG AAA 302 ? 1_555 ASN AAA 72  ? 1_555 C1 ND2 ASN 1 NAG N-Glycosylation Carbohydrate       
3 CYS A 30  ? CYS A 46  ? CYS AAA 42  ? 1_555 CYS AAA 58  ? 1_555 SG SG  .   . .   None            'Disulfide bridge' 
4 CYS A 123 ? CYS A 188 ? CYS AAA 136 ? 1_555 CYS AAA 201 ? 1_555 SG SG  .   . .   None            'Disulfide bridge' 
5 CYS A 154 ? CYS A 167 ? CYS AAA 168 ? 1_555 CYS AAA 182 ? 1_555 SG SG  .   . .   None            'Disulfide bridge' 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          PRO 
_struct_mon_prot_cis.label_seq_id           205 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           PRO 
_struct_mon_prot_cis.auth_seq_id            224 
_struct_mon_prot_cis.auth_asym_id           AAA 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    206 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     225 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    AAA 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       2.06 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 8 ? 
AA2 ? 7 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA1 7 8 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 THR A 5   ? GLU A 6   ? THR AAA 20  GLU AAA 21  
AA1 2 GLN A 142 ? MET A 149 ? GLN AAA 156 MET AAA 163 
AA1 3 GLN A 165 ? VAL A 168 ? GLN AAA 180 VAL AAA 183 
AA1 4 ALA A 207 ? ARG A 211 ? ALA AAA 226 ARG AAA 230 
AA1 5 ALA A 191 ? TYR A 198 ? ALA AAA 208 TYR AAA 215 
AA1 6 PRO A 185 ? CYS A 188 ? PRO AAA 198 CYS AAA 201 
AA1 7 MET A 122 ? GLY A 127 ? MET AAA 135 GLY AAA 140 
AA1 8 GLN A 142 ? MET A 149 ? GLN AAA 156 MET AAA 163 
AA2 1 MET A 15  ? VAL A 21  ? MET AAA 30  VAL AAA 36  
AA2 2 LYS A 28  ? ARG A 36  ? LYS AAA 40  ARG AAA 48  
AA2 3 PHE A 39  ? THR A 42  ? PHE AAA 51  THR AAA 54  
AA2 4 MET A 91  ? LEU A 95  ? MET AAA 104 LEU AAA 108 
AA2 5 GLN A 68  ? ARG A 77  ? GLN AAA 81  ARG AAA 90  
AA2 6 SER A 50  ? LEU A 55  ? SER AAA 63  LEU AAA 68  
AA2 7 MET A 15  ? VAL A 21  ? MET AAA 30  VAL AAA 36  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N THR A 5   ? N THR AAA 20  O GLU A 143 ? O GLU AAA 157 
AA1 2 3 N MET A 149 ? N MET AAA 163 O CYS A 167 ? O CYS AAA 182 
AA1 3 4 N VAL A 168 ? N VAL AAA 183 O ALA A 207 ? O ALA AAA 226 
AA1 4 5 O VAL A 208 ? O VAL AAA 227 N TYR A 198 ? N TYR AAA 215 
AA1 5 6 O GLN A 193 ? O GLN AAA 210 N LEU A 186 ? N LEU AAA 199 
AA1 6 7 O LEU A 187 ? O LEU AAA 200 N ARG A 124 ? N ARG AAA 137 
AA1 7 8 N CYS A 123 ? N CYS AAA 136 O LEU A 146 ? O LEU AAA 160 
AA2 1 2 N ILE A 20  ? N ILE AAA 35  O LYS A 28  ? O LYS AAA 40  
AA2 2 3 N PHE A 33  ? N PHE AAA 45  O LEU A 41  ? O LEU AAA 53  
AA2 3 4 N THR A 42  ? N THR AAA 54  O MET A 91  ? O MET AAA 104 
AA2 4 5 O LEU A 92  ? O LEU AAA 105 N PHE A 76  ? N PHE AAA 89  
AA2 5 6 O LEU A 70  ? O LEU AAA 83  N VAL A 53  ? N VAL AAA 66  
AA2 6 7 O SER A 50  ? O SER AAA 63  N VAL A 21  ? N VAL AAA 36  
# 
_pdbx_entry_details.entry_id                   9GBH 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O4 
_pdbx_validate_close_contact.auth_asym_id_1   AAA 
_pdbx_validate_close_contact.auth_comp_id_1   NAG 
_pdbx_validate_close_contact.auth_seq_id_1    302 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   C1 
_pdbx_validate_close_contact.auth_asym_id_2   AAA 
_pdbx_validate_close_contact.auth_comp_id_2   NAG 
_pdbx_validate_close_contact.auth_seq_id_2    303 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.14 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 THR AAA 54  ? ? -162.91 -169.63 
2 1 HIS AAA 71  ? ? -122.73 -74.27  
3 1 SER AAA 189 ? ? -176.51 149.48  
# 
loop_
_pdbx_validate_planes.id 
_pdbx_validate_planes.PDB_model_num 
_pdbx_validate_planes.auth_comp_id 
_pdbx_validate_planes.auth_asym_id 
_pdbx_validate_planes.auth_seq_id 
_pdbx_validate_planes.PDB_ins_code 
_pdbx_validate_planes.label_alt_id 
_pdbx_validate_planes.rmsd 
_pdbx_validate_planes.type 
1 1 ARG AAA 161 ? ? 0.116 'SIDE CHAIN' 
2 1 ARG AAA 174 ? ? 0.077 'SIDE CHAIN' 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? AAA HOH 525 ? 6.29 . 
2 1 O ? AAA HOH 526 ? 6.32 . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 AAA PRO 122 ? A PRO 109 
2  1 Y 1 AAA PHE 123 ? A PHE 110 
3  1 Y 1 AAA PRO 124 ? A PRO 111 
4  1 Y 1 AAA SER 125 ? A SER 112 
5  1 Y 1 AAA GLN 126 ? A GLN 113 
6  1 Y 1 AAA ARG 127 ? A ARG 114 
7  1 Y 1 AAA ASN 128 ? A ASN 115 
8  1 Y 1 AAA PHE 129 ? A PHE 116 
9  1 Y 1 AAA VAL 130 ? A VAL 117 
10 1 Y 1 AAA PRO 131 ? A PRO 118 
11 1 Y 1 AAA PRO 132 ? A PRO 119 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
A1IJV N1   N  N N 1   
A1IJV N3   N  N N 2   
A1IJV C5   C  N N 3   
A1IJV C6   C  N N 4   
A1IJV C13  C  N N 5   
A1IJV C15  C  Y N 6   
A1IJV C17  C  Y N 7   
A1IJV C20  C  Y N 8   
A1IJV C22  C  N N 9   
A1IJV C24  C  N N 10  
A1IJV C26  C  Y N 11  
A1IJV C28  C  Y N 12  
A1IJV F31  F  N N 13  
A1IJV C29  C  N N 14  
A1IJV F32  F  N N 15  
A1IJV F30  F  N N 16  
A1IJV C12  C  Y N 17  
A1IJV C14  C  Y N 18  
A1IJV C25  C  Y N 19  
A1IJV C27  C  Y N 20  
A1IJV C2   C  N N 21  
A1IJV O8   O  N N 22  
A1IJV O7   O  N N 23  
A1IJV C9   C  N N 24  
A1IJV O10  O  N N 25  
A1IJV O11  O  N N 26  
A1IJV N4   N  N N 27  
A1IJV C19  C  Y N 28  
A1IJV C18  C  Y N 29  
A1IJV C16  C  Y N 30  
A1IJV O21  O  N N 31  
A1IJV O23  O  N N 32  
A1IJV H13  H  N N 33  
A1IJV H29  H  N N 34  
A1IJV H15  H  N N 35  
A1IJV H20  H  N N 36  
A1IJV H28  H  N N 37  
A1IJV H27  H  N N 38  
A1IJV H22  H  N N 39  
A1IJV H26  H  N N 40  
A1IJV H24  H  N N 41  
A1IJV H25  H  N N 42  
A1IJV H3B  H  N N 43  
A1IJV H3A  H  N N 44  
A1IJV H14  H  N N 45  
A1IJV H3C  H  N N 46  
A1IJV H1   H  N N 47  
A1IJV H18  H  N N 48  
ALA   N    N  N N 49  
ALA   CA   C  N S 50  
ALA   C    C  N N 51  
ALA   O    O  N N 52  
ALA   CB   C  N N 53  
ALA   OXT  O  N N 54  
ALA   H    H  N N 55  
ALA   H2   H  N N 56  
ALA   HA   H  N N 57  
ALA   HB1  H  N N 58  
ALA   HB2  H  N N 59  
ALA   HB3  H  N N 60  
ALA   HXT  H  N N 61  
ARG   N    N  N N 62  
ARG   CA   C  N S 63  
ARG   C    C  N N 64  
ARG   O    O  N N 65  
ARG   CB   C  N N 66  
ARG   CG   C  N N 67  
ARG   CD   C  N N 68  
ARG   NE   N  N N 69  
ARG   CZ   C  N N 70  
ARG   NH1  N  N N 71  
ARG   NH2  N  N N 72  
ARG   OXT  O  N N 73  
ARG   H    H  N N 74  
ARG   H2   H  N N 75  
ARG   HA   H  N N 76  
ARG   HB2  H  N N 77  
ARG   HB3  H  N N 78  
ARG   HG2  H  N N 79  
ARG   HG3  H  N N 80  
ARG   HD2  H  N N 81  
ARG   HD3  H  N N 82  
ARG   HE   H  N N 83  
ARG   HH11 H  N N 84  
ARG   HH12 H  N N 85  
ARG   HH21 H  N N 86  
ARG   HH22 H  N N 87  
ARG   HXT  H  N N 88  
ASN   N    N  N N 89  
ASN   CA   C  N S 90  
ASN   C    C  N N 91  
ASN   O    O  N N 92  
ASN   CB   C  N N 93  
ASN   CG   C  N N 94  
ASN   OD1  O  N N 95  
ASN   ND2  N  N N 96  
ASN   OXT  O  N N 97  
ASN   H    H  N N 98  
ASN   H2   H  N N 99  
ASN   HA   H  N N 100 
ASN   HB2  H  N N 101 
ASN   HB3  H  N N 102 
ASN   HD21 H  N N 103 
ASN   HD22 H  N N 104 
ASN   HXT  H  N N 105 
ASP   N    N  N N 106 
ASP   CA   C  N S 107 
ASP   C    C  N N 108 
ASP   O    O  N N 109 
ASP   CB   C  N N 110 
ASP   CG   C  N N 111 
ASP   OD1  O  N N 112 
ASP   OD2  O  N N 113 
ASP   OXT  O  N N 114 
ASP   H    H  N N 115 
ASP   H2   H  N N 116 
ASP   HA   H  N N 117 
ASP   HB2  H  N N 118 
ASP   HB3  H  N N 119 
ASP   HD2  H  N N 120 
ASP   HXT  H  N N 121 
CYS   N    N  N N 122 
CYS   CA   C  N R 123 
CYS   C    C  N N 124 
CYS   O    O  N N 125 
CYS   CB   C  N N 126 
CYS   SG   S  N N 127 
CYS   OXT  O  N N 128 
CYS   H    H  N N 129 
CYS   H2   H  N N 130 
CYS   HA   H  N N 131 
CYS   HB2  H  N N 132 
CYS   HB3  H  N N 133 
CYS   HG   H  N N 134 
CYS   HXT  H  N N 135 
GLN   N    N  N N 136 
GLN   CA   C  N S 137 
GLN   C    C  N N 138 
GLN   O    O  N N 139 
GLN   CB   C  N N 140 
GLN   CG   C  N N 141 
GLN   CD   C  N N 142 
GLN   OE1  O  N N 143 
GLN   NE2  N  N N 144 
GLN   OXT  O  N N 145 
GLN   H    H  N N 146 
GLN   H2   H  N N 147 
GLN   HA   H  N N 148 
GLN   HB2  H  N N 149 
GLN   HB3  H  N N 150 
GLN   HG2  H  N N 151 
GLN   HG3  H  N N 152 
GLN   HE21 H  N N 153 
GLN   HE22 H  N N 154 
GLN   HXT  H  N N 155 
GLU   N    N  N N 156 
GLU   CA   C  N S 157 
GLU   C    C  N N 158 
GLU   O    O  N N 159 
GLU   CB   C  N N 160 
GLU   CG   C  N N 161 
GLU   CD   C  N N 162 
GLU   OE1  O  N N 163 
GLU   OE2  O  N N 164 
GLU   OXT  O  N N 165 
GLU   H    H  N N 166 
GLU   H2   H  N N 167 
GLU   HA   H  N N 168 
GLU   HB2  H  N N 169 
GLU   HB3  H  N N 170 
GLU   HG2  H  N N 171 
GLU   HG3  H  N N 172 
GLU   HE2  H  N N 173 
GLU   HXT  H  N N 174 
GLY   N    N  N N 175 
GLY   CA   C  N N 176 
GLY   C    C  N N 177 
GLY   O    O  N N 178 
GLY   OXT  O  N N 179 
GLY   H    H  N N 180 
GLY   H2   H  N N 181 
GLY   HA2  H  N N 182 
GLY   HA3  H  N N 183 
GLY   HXT  H  N N 184 
HIS   N    N  N N 185 
HIS   CA   C  N S 186 
HIS   C    C  N N 187 
HIS   O    O  N N 188 
HIS   CB   C  N N 189 
HIS   CG   C  Y N 190 
HIS   ND1  N  Y N 191 
HIS   CD2  C  Y N 192 
HIS   CE1  C  Y N 193 
HIS   NE2  N  Y N 194 
HIS   OXT  O  N N 195 
HIS   H    H  N N 196 
HIS   H2   H  N N 197 
HIS   HA   H  N N 198 
HIS   HB2  H  N N 199 
HIS   HB3  H  N N 200 
HIS   HD1  H  N N 201 
HIS   HD2  H  N N 202 
HIS   HE1  H  N N 203 
HIS   HE2  H  N N 204 
HIS   HXT  H  N N 205 
HOH   O    O  N N 206 
HOH   H1   H  N N 207 
HOH   H2   H  N N 208 
ILE   N    N  N N 209 
ILE   CA   C  N S 210 
ILE   C    C  N N 211 
ILE   O    O  N N 212 
ILE   CB   C  N S 213 
ILE   CG1  C  N N 214 
ILE   CG2  C  N N 215 
ILE   CD1  C  N N 216 
ILE   OXT  O  N N 217 
ILE   H    H  N N 218 
ILE   H2   H  N N 219 
ILE   HA   H  N N 220 
ILE   HB   H  N N 221 
ILE   HG12 H  N N 222 
ILE   HG13 H  N N 223 
ILE   HG21 H  N N 224 
ILE   HG22 H  N N 225 
ILE   HG23 H  N N 226 
ILE   HD11 H  N N 227 
ILE   HD12 H  N N 228 
ILE   HD13 H  N N 229 
ILE   HXT  H  N N 230 
LEU   N    N  N N 231 
LEU   CA   C  N S 232 
LEU   C    C  N N 233 
LEU   O    O  N N 234 
LEU   CB   C  N N 235 
LEU   CG   C  N N 236 
LEU   CD1  C  N N 237 
LEU   CD2  C  N N 238 
LEU   OXT  O  N N 239 
LEU   H    H  N N 240 
LEU   H2   H  N N 241 
LEU   HA   H  N N 242 
LEU   HB2  H  N N 243 
LEU   HB3  H  N N 244 
LEU   HG   H  N N 245 
LEU   HD11 H  N N 246 
LEU   HD12 H  N N 247 
LEU   HD13 H  N N 248 
LEU   HD21 H  N N 249 
LEU   HD22 H  N N 250 
LEU   HD23 H  N N 251 
LEU   HXT  H  N N 252 
LYS   N    N  N N 253 
LYS   CA   C  N S 254 
LYS   C    C  N N 255 
LYS   O    O  N N 256 
LYS   CB   C  N N 257 
LYS   CG   C  N N 258 
LYS   CD   C  N N 259 
LYS   CE   C  N N 260 
LYS   NZ   N  N N 261 
LYS   OXT  O  N N 262 
LYS   H    H  N N 263 
LYS   H2   H  N N 264 
LYS   HA   H  N N 265 
LYS   HB2  H  N N 266 
LYS   HB3  H  N N 267 
LYS   HG2  H  N N 268 
LYS   HG3  H  N N 269 
LYS   HD2  H  N N 270 
LYS   HD3  H  N N 271 
LYS   HE2  H  N N 272 
LYS   HE3  H  N N 273 
LYS   HZ1  H  N N 274 
LYS   HZ2  H  N N 275 
LYS   HZ3  H  N N 276 
LYS   HXT  H  N N 277 
MET   N    N  N N 278 
MET   CA   C  N S 279 
MET   C    C  N N 280 
MET   O    O  N N 281 
MET   CB   C  N N 282 
MET   CG   C  N N 283 
MET   SD   S  N N 284 
MET   CE   C  N N 285 
MET   OXT  O  N N 286 
MET   H    H  N N 287 
MET   H2   H  N N 288 
MET   HA   H  N N 289 
MET   HB2  H  N N 290 
MET   HB3  H  N N 291 
MET   HG2  H  N N 292 
MET   HG3  H  N N 293 
MET   HE1  H  N N 294 
MET   HE2  H  N N 295 
MET   HE3  H  N N 296 
MET   HXT  H  N N 297 
NAG   C1   C  N R 298 
NAG   C2   C  N R 299 
NAG   C3   C  N R 300 
NAG   C4   C  N S 301 
NAG   C5   C  N R 302 
NAG   C6   C  N N 303 
NAG   C7   C  N N 304 
NAG   C8   C  N N 305 
NAG   N2   N  N N 306 
NAG   O1   O  N N 307 
NAG   O3   O  N N 308 
NAG   O4   O  N N 309 
NAG   O5   O  N N 310 
NAG   O6   O  N N 311 
NAG   O7   O  N N 312 
NAG   H1   H  N N 313 
NAG   H2   H  N N 314 
NAG   H3   H  N N 315 
NAG   H4   H  N N 316 
NAG   H5   H  N N 317 
NAG   H61  H  N N 318 
NAG   H62  H  N N 319 
NAG   H81  H  N N 320 
NAG   H82  H  N N 321 
NAG   H83  H  N N 322 
NAG   HN2  H  N N 323 
NAG   HO1  H  N N 324 
NAG   HO3  H  N N 325 
NAG   HO4  H  N N 326 
NAG   HO6  H  N N 327 
PHE   N    N  N N 328 
PHE   CA   C  N S 329 
PHE   C    C  N N 330 
PHE   O    O  N N 331 
PHE   CB   C  N N 332 
PHE   CG   C  Y N 333 
PHE   CD1  C  Y N 334 
PHE   CD2  C  Y N 335 
PHE   CE1  C  Y N 336 
PHE   CE2  C  Y N 337 
PHE   CZ   C  Y N 338 
PHE   OXT  O  N N 339 
PHE   H    H  N N 340 
PHE   H2   H  N N 341 
PHE   HA   H  N N 342 
PHE   HB2  H  N N 343 
PHE   HB3  H  N N 344 
PHE   HD1  H  N N 345 
PHE   HD2  H  N N 346 
PHE   HE1  H  N N 347 
PHE   HE2  H  N N 348 
PHE   HZ   H  N N 349 
PHE   HXT  H  N N 350 
PRO   N    N  N N 351 
PRO   CA   C  N S 352 
PRO   C    C  N N 353 
PRO   O    O  N N 354 
PRO   CB   C  N N 355 
PRO   CG   C  N N 356 
PRO   CD   C  N N 357 
PRO   OXT  O  N N 358 
PRO   H    H  N N 359 
PRO   HA   H  N N 360 
PRO   HB2  H  N N 361 
PRO   HB3  H  N N 362 
PRO   HG2  H  N N 363 
PRO   HG3  H  N N 364 
PRO   HD2  H  N N 365 
PRO   HD3  H  N N 366 
PRO   HXT  H  N N 367 
SER   N    N  N N 368 
SER   CA   C  N S 369 
SER   C    C  N N 370 
SER   O    O  N N 371 
SER   CB   C  N N 372 
SER   OG   O  N N 373 
SER   OXT  O  N N 374 
SER   H    H  N N 375 
SER   H2   H  N N 376 
SER   HA   H  N N 377 
SER   HB2  H  N N 378 
SER   HB3  H  N N 379 
SER   HG   H  N N 380 
SER   HXT  H  N N 381 
THR   N    N  N N 382 
THR   CA   C  N S 383 
THR   C    C  N N 384 
THR   O    O  N N 385 
THR   CB   C  N R 386 
THR   OG1  O  N N 387 
THR   CG2  C  N N 388 
THR   OXT  O  N N 389 
THR   H    H  N N 390 
THR   H2   H  N N 391 
THR   HA   H  N N 392 
THR   HB   H  N N 393 
THR   HG1  H  N N 394 
THR   HG21 H  N N 395 
THR   HG22 H  N N 396 
THR   HG23 H  N N 397 
THR   HXT  H  N N 398 
TRP   N    N  N N 399 
TRP   CA   C  N S 400 
TRP   C    C  N N 401 
TRP   O    O  N N 402 
TRP   CB   C  N N 403 
TRP   CG   C  Y N 404 
TRP   CD1  C  Y N 405 
TRP   CD2  C  Y N 406 
TRP   NE1  N  Y N 407 
TRP   CE2  C  Y N 408 
TRP   CE3  C  Y N 409 
TRP   CZ2  C  Y N 410 
TRP   CZ3  C  Y N 411 
TRP   CH2  C  Y N 412 
TRP   OXT  O  N N 413 
TRP   H    H  N N 414 
TRP   H2   H  N N 415 
TRP   HA   H  N N 416 
TRP   HB2  H  N N 417 
TRP   HB3  H  N N 418 
TRP   HD1  H  N N 419 
TRP   HE1  H  N N 420 
TRP   HE3  H  N N 421 
TRP   HZ2  H  N N 422 
TRP   HZ3  H  N N 423 
TRP   HH2  H  N N 424 
TRP   HXT  H  N N 425 
TYR   N    N  N N 426 
TYR   CA   C  N S 427 
TYR   C    C  N N 428 
TYR   O    O  N N 429 
TYR   CB   C  N N 430 
TYR   CG   C  Y N 431 
TYR   CD1  C  Y N 432 
TYR   CD2  C  Y N 433 
TYR   CE1  C  Y N 434 
TYR   CE2  C  Y N 435 
TYR   CZ   C  Y N 436 
TYR   OH   O  N N 437 
TYR   OXT  O  N N 438 
TYR   H    H  N N 439 
TYR   H2   H  N N 440 
TYR   HA   H  N N 441 
TYR   HB2  H  N N 442 
TYR   HB3  H  N N 443 
TYR   HD1  H  N N 444 
TYR   HD2  H  N N 445 
TYR   HE1  H  N N 446 
TYR   HE2  H  N N 447 
TYR   HH   H  N N 448 
TYR   HXT  H  N N 449 
VAL   N    N  N N 450 
VAL   CA   C  N S 451 
VAL   C    C  N N 452 
VAL   O    O  N N 453 
VAL   CB   C  N N 454 
VAL   CG1  C  N N 455 
VAL   CG2  C  N N 456 
VAL   OXT  O  N N 457 
VAL   H    H  N N 458 
VAL   H2   H  N N 459 
VAL   HA   H  N N 460 
VAL   HB   H  N N 461 
VAL   HG11 H  N N 462 
VAL   HG12 H  N N 463 
VAL   HG13 H  N N 464 
VAL   HG21 H  N N 465 
VAL   HG22 H  N N 466 
VAL   HG23 H  N N 467 
VAL   HXT  H  N N 468 
ZN    ZN   ZN N N 469 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
A1IJV C29 F31  sing N N 1   
A1IJV C29 F32  sing N N 2   
A1IJV C29 F30  sing N N 3   
A1IJV C12 C29  sing N N 4   
A1IJV C12 C28  sing Y N 5   
A1IJV C12 C14  doub Y N 6   
A1IJV C27 C28  doub Y N 7   
A1IJV C14 C25  sing Y N 8   
A1IJV C25 C26  doub Y N 9   
A1IJV C27 C26  sing Y N 10  
A1IJV C27 C13  sing N N 11  
A1IJV N1  C13  sing N N 12  
A1IJV N1  C2   sing N N 13  
A1IJV N1  C6   sing N N 14  
A1IJV C2  O8   doub N N 15  
A1IJV C2  N3   sing N N 16  
A1IJV C6  O7   doub N N 17  
A1IJV C6  C5   sing N N 18  
A1IJV C5  C9   sing N N 19  
A1IJV C5  N4   doub N N 20  
A1IJV C9  O10  doub N N 21  
A1IJV C9  O11  sing N N 22  
A1IJV N3  N4   sing N N 23  
A1IJV N3  C19  sing N N 24  
A1IJV C19 C18  sing Y N 25  
A1IJV C19 C20  doub Y N 26  
A1IJV C17 C18  doub Y N 27  
A1IJV C20 C15  sing Y N 28  
A1IJV C16 C15  doub Y N 29  
A1IJV C16 O21  sing N N 30  
A1IJV C16 C17  sing Y N 31  
A1IJV O21 C22  sing N N 32  
A1IJV C17 O23  sing N N 33  
A1IJV O23 C24  sing N N 34  
A1IJV C13 H13  sing N N 35  
A1IJV C13 H29  sing N N 36  
A1IJV C15 H15  sing N N 37  
A1IJV C20 H20  sing N N 38  
A1IJV C22 H28  sing N N 39  
A1IJV C22 H27  sing N N 40  
A1IJV C22 H22  sing N N 41  
A1IJV C24 H26  sing N N 42  
A1IJV C24 H24  sing N N 43  
A1IJV C24 H25  sing N N 44  
A1IJV C26 H3B  sing N N 45  
A1IJV C28 H3A  sing N N 46  
A1IJV C14 H14  sing N N 47  
A1IJV C25 H3C  sing N N 48  
A1IJV O11 H1   sing N N 49  
A1IJV C18 H18  sing N N 50  
ALA   N   CA   sing N N 51  
ALA   N   H    sing N N 52  
ALA   N   H2   sing N N 53  
ALA   CA  C    sing N N 54  
ALA   CA  CB   sing N N 55  
ALA   CA  HA   sing N N 56  
ALA   C   O    doub N N 57  
ALA   C   OXT  sing N N 58  
ALA   CB  HB1  sing N N 59  
ALA   CB  HB2  sing N N 60  
ALA   CB  HB3  sing N N 61  
ALA   OXT HXT  sing N N 62  
ARG   N   CA   sing N N 63  
ARG   N   H    sing N N 64  
ARG   N   H2   sing N N 65  
ARG   CA  C    sing N N 66  
ARG   CA  CB   sing N N 67  
ARG   CA  HA   sing N N 68  
ARG   C   O    doub N N 69  
ARG   C   OXT  sing N N 70  
ARG   CB  CG   sing N N 71  
ARG   CB  HB2  sing N N 72  
ARG   CB  HB3  sing N N 73  
ARG   CG  CD   sing N N 74  
ARG   CG  HG2  sing N N 75  
ARG   CG  HG3  sing N N 76  
ARG   CD  NE   sing N N 77  
ARG   CD  HD2  sing N N 78  
ARG   CD  HD3  sing N N 79  
ARG   NE  CZ   sing N N 80  
ARG   NE  HE   sing N N 81  
ARG   CZ  NH1  sing N N 82  
ARG   CZ  NH2  doub N N 83  
ARG   NH1 HH11 sing N N 84  
ARG   NH1 HH12 sing N N 85  
ARG   NH2 HH21 sing N N 86  
ARG   NH2 HH22 sing N N 87  
ARG   OXT HXT  sing N N 88  
ASN   N   CA   sing N N 89  
ASN   N   H    sing N N 90  
ASN   N   H2   sing N N 91  
ASN   CA  C    sing N N 92  
ASN   CA  CB   sing N N 93  
ASN   CA  HA   sing N N 94  
ASN   C   O    doub N N 95  
ASN   C   OXT  sing N N 96  
ASN   CB  CG   sing N N 97  
ASN   CB  HB2  sing N N 98  
ASN   CB  HB3  sing N N 99  
ASN   CG  OD1  doub N N 100 
ASN   CG  ND2  sing N N 101 
ASN   ND2 HD21 sing N N 102 
ASN   ND2 HD22 sing N N 103 
ASN   OXT HXT  sing N N 104 
ASP   N   CA   sing N N 105 
ASP   N   H    sing N N 106 
ASP   N   H2   sing N N 107 
ASP   CA  C    sing N N 108 
ASP   CA  CB   sing N N 109 
ASP   CA  HA   sing N N 110 
ASP   C   O    doub N N 111 
ASP   C   OXT  sing N N 112 
ASP   CB  CG   sing N N 113 
ASP   CB  HB2  sing N N 114 
ASP   CB  HB3  sing N N 115 
ASP   CG  OD1  doub N N 116 
ASP   CG  OD2  sing N N 117 
ASP   OD2 HD2  sing N N 118 
ASP   OXT HXT  sing N N 119 
CYS   N   CA   sing N N 120 
CYS   N   H    sing N N 121 
CYS   N   H2   sing N N 122 
CYS   CA  C    sing N N 123 
CYS   CA  CB   sing N N 124 
CYS   CA  HA   sing N N 125 
CYS   C   O    doub N N 126 
CYS   C   OXT  sing N N 127 
CYS   CB  SG   sing N N 128 
CYS   CB  HB2  sing N N 129 
CYS   CB  HB3  sing N N 130 
CYS   SG  HG   sing N N 131 
CYS   OXT HXT  sing N N 132 
GLN   N   CA   sing N N 133 
GLN   N   H    sing N N 134 
GLN   N   H2   sing N N 135 
GLN   CA  C    sing N N 136 
GLN   CA  CB   sing N N 137 
GLN   CA  HA   sing N N 138 
GLN   C   O    doub N N 139 
GLN   C   OXT  sing N N 140 
GLN   CB  CG   sing N N 141 
GLN   CB  HB2  sing N N 142 
GLN   CB  HB3  sing N N 143 
GLN   CG  CD   sing N N 144 
GLN   CG  HG2  sing N N 145 
GLN   CG  HG3  sing N N 146 
GLN   CD  OE1  doub N N 147 
GLN   CD  NE2  sing N N 148 
GLN   NE2 HE21 sing N N 149 
GLN   NE2 HE22 sing N N 150 
GLN   OXT HXT  sing N N 151 
GLU   N   CA   sing N N 152 
GLU   N   H    sing N N 153 
GLU   N   H2   sing N N 154 
GLU   CA  C    sing N N 155 
GLU   CA  CB   sing N N 156 
GLU   CA  HA   sing N N 157 
GLU   C   O    doub N N 158 
GLU   C   OXT  sing N N 159 
GLU   CB  CG   sing N N 160 
GLU   CB  HB2  sing N N 161 
GLU   CB  HB3  sing N N 162 
GLU   CG  CD   sing N N 163 
GLU   CG  HG2  sing N N 164 
GLU   CG  HG3  sing N N 165 
GLU   CD  OE1  doub N N 166 
GLU   CD  OE2  sing N N 167 
GLU   OE2 HE2  sing N N 168 
GLU   OXT HXT  sing N N 169 
GLY   N   CA   sing N N 170 
GLY   N   H    sing N N 171 
GLY   N   H2   sing N N 172 
GLY   CA  C    sing N N 173 
GLY   CA  HA2  sing N N 174 
GLY   CA  HA3  sing N N 175 
GLY   C   O    doub N N 176 
GLY   C   OXT  sing N N 177 
GLY   OXT HXT  sing N N 178 
HIS   N   CA   sing N N 179 
HIS   N   H    sing N N 180 
HIS   N   H2   sing N N 181 
HIS   CA  C    sing N N 182 
HIS   CA  CB   sing N N 183 
HIS   CA  HA   sing N N 184 
HIS   C   O    doub N N 185 
HIS   C   OXT  sing N N 186 
HIS   CB  CG   sing N N 187 
HIS   CB  HB2  sing N N 188 
HIS   CB  HB3  sing N N 189 
HIS   CG  ND1  sing Y N 190 
HIS   CG  CD2  doub Y N 191 
HIS   ND1 CE1  doub Y N 192 
HIS   ND1 HD1  sing N N 193 
HIS   CD2 NE2  sing Y N 194 
HIS   CD2 HD2  sing N N 195 
HIS   CE1 NE2  sing Y N 196 
HIS   CE1 HE1  sing N N 197 
HIS   NE2 HE2  sing N N 198 
HIS   OXT HXT  sing N N 199 
HOH   O   H1   sing N N 200 
HOH   O   H2   sing N N 201 
ILE   N   CA   sing N N 202 
ILE   N   H    sing N N 203 
ILE   N   H2   sing N N 204 
ILE   CA  C    sing N N 205 
ILE   CA  CB   sing N N 206 
ILE   CA  HA   sing N N 207 
ILE   C   O    doub N N 208 
ILE   C   OXT  sing N N 209 
ILE   CB  CG1  sing N N 210 
ILE   CB  CG2  sing N N 211 
ILE   CB  HB   sing N N 212 
ILE   CG1 CD1  sing N N 213 
ILE   CG1 HG12 sing N N 214 
ILE   CG1 HG13 sing N N 215 
ILE   CG2 HG21 sing N N 216 
ILE   CG2 HG22 sing N N 217 
ILE   CG2 HG23 sing N N 218 
ILE   CD1 HD11 sing N N 219 
ILE   CD1 HD12 sing N N 220 
ILE   CD1 HD13 sing N N 221 
ILE   OXT HXT  sing N N 222 
LEU   N   CA   sing N N 223 
LEU   N   H    sing N N 224 
LEU   N   H2   sing N N 225 
LEU   CA  C    sing N N 226 
LEU   CA  CB   sing N N 227 
LEU   CA  HA   sing N N 228 
LEU   C   O    doub N N 229 
LEU   C   OXT  sing N N 230 
LEU   CB  CG   sing N N 231 
LEU   CB  HB2  sing N N 232 
LEU   CB  HB3  sing N N 233 
LEU   CG  CD1  sing N N 234 
LEU   CG  CD2  sing N N 235 
LEU   CG  HG   sing N N 236 
LEU   CD1 HD11 sing N N 237 
LEU   CD1 HD12 sing N N 238 
LEU   CD1 HD13 sing N N 239 
LEU   CD2 HD21 sing N N 240 
LEU   CD2 HD22 sing N N 241 
LEU   CD2 HD23 sing N N 242 
LEU   OXT HXT  sing N N 243 
LYS   N   CA   sing N N 244 
LYS   N   H    sing N N 245 
LYS   N   H2   sing N N 246 
LYS   CA  C    sing N N 247 
LYS   CA  CB   sing N N 248 
LYS   CA  HA   sing N N 249 
LYS   C   O    doub N N 250 
LYS   C   OXT  sing N N 251 
LYS   CB  CG   sing N N 252 
LYS   CB  HB2  sing N N 253 
LYS   CB  HB3  sing N N 254 
LYS   CG  CD   sing N N 255 
LYS   CG  HG2  sing N N 256 
LYS   CG  HG3  sing N N 257 
LYS   CD  CE   sing N N 258 
LYS   CD  HD2  sing N N 259 
LYS   CD  HD3  sing N N 260 
LYS   CE  NZ   sing N N 261 
LYS   CE  HE2  sing N N 262 
LYS   CE  HE3  sing N N 263 
LYS   NZ  HZ1  sing N N 264 
LYS   NZ  HZ2  sing N N 265 
LYS   NZ  HZ3  sing N N 266 
LYS   OXT HXT  sing N N 267 
MET   N   CA   sing N N 268 
MET   N   H    sing N N 269 
MET   N   H2   sing N N 270 
MET   CA  C    sing N N 271 
MET   CA  CB   sing N N 272 
MET   CA  HA   sing N N 273 
MET   C   O    doub N N 274 
MET   C   OXT  sing N N 275 
MET   CB  CG   sing N N 276 
MET   CB  HB2  sing N N 277 
MET   CB  HB3  sing N N 278 
MET   CG  SD   sing N N 279 
MET   CG  HG2  sing N N 280 
MET   CG  HG3  sing N N 281 
MET   SD  CE   sing N N 282 
MET   CE  HE1  sing N N 283 
MET   CE  HE2  sing N N 284 
MET   CE  HE3  sing N N 285 
MET   OXT HXT  sing N N 286 
NAG   C1  C2   sing N N 287 
NAG   C1  O1   sing N N 288 
NAG   C1  O5   sing N N 289 
NAG   C1  H1   sing N N 290 
NAG   C2  C3   sing N N 291 
NAG   C2  N2   sing N N 292 
NAG   C2  H2   sing N N 293 
NAG   C3  C4   sing N N 294 
NAG   C3  O3   sing N N 295 
NAG   C3  H3   sing N N 296 
NAG   C4  C5   sing N N 297 
NAG   C4  O4   sing N N 298 
NAG   C4  H4   sing N N 299 
NAG   C5  C6   sing N N 300 
NAG   C5  O5   sing N N 301 
NAG   C5  H5   sing N N 302 
NAG   C6  O6   sing N N 303 
NAG   C6  H61  sing N N 304 
NAG   C6  H62  sing N N 305 
NAG   C7  C8   sing N N 306 
NAG   C7  N2   sing N N 307 
NAG   C7  O7   doub N N 308 
NAG   C8  H81  sing N N 309 
NAG   C8  H82  sing N N 310 
NAG   C8  H83  sing N N 311 
NAG   N2  HN2  sing N N 312 
NAG   O1  HO1  sing N N 313 
NAG   O3  HO3  sing N N 314 
NAG   O4  HO4  sing N N 315 
NAG   O6  HO6  sing N N 316 
PHE   N   CA   sing N N 317 
PHE   N   H    sing N N 318 
PHE   N   H2   sing N N 319 
PHE   CA  C    sing N N 320 
PHE   CA  CB   sing N N 321 
PHE   CA  HA   sing N N 322 
PHE   C   O    doub N N 323 
PHE   C   OXT  sing N N 324 
PHE   CB  CG   sing N N 325 
PHE   CB  HB2  sing N N 326 
PHE   CB  HB3  sing N N 327 
PHE   CG  CD1  doub Y N 328 
PHE   CG  CD2  sing Y N 329 
PHE   CD1 CE1  sing Y N 330 
PHE   CD1 HD1  sing N N 331 
PHE   CD2 CE2  doub Y N 332 
PHE   CD2 HD2  sing N N 333 
PHE   CE1 CZ   doub Y N 334 
PHE   CE1 HE1  sing N N 335 
PHE   CE2 CZ   sing Y N 336 
PHE   CE2 HE2  sing N N 337 
PHE   CZ  HZ   sing N N 338 
PHE   OXT HXT  sing N N 339 
PRO   N   CA   sing N N 340 
PRO   N   CD   sing N N 341 
PRO   N   H    sing N N 342 
PRO   CA  C    sing N N 343 
PRO   CA  CB   sing N N 344 
PRO   CA  HA   sing N N 345 
PRO   C   O    doub N N 346 
PRO   C   OXT  sing N N 347 
PRO   CB  CG   sing N N 348 
PRO   CB  HB2  sing N N 349 
PRO   CB  HB3  sing N N 350 
PRO   CG  CD   sing N N 351 
PRO   CG  HG2  sing N N 352 
PRO   CG  HG3  sing N N 353 
PRO   CD  HD2  sing N N 354 
PRO   CD  HD3  sing N N 355 
PRO   OXT HXT  sing N N 356 
SER   N   CA   sing N N 357 
SER   N   H    sing N N 358 
SER   N   H2   sing N N 359 
SER   CA  C    sing N N 360 
SER   CA  CB   sing N N 361 
SER   CA  HA   sing N N 362 
SER   C   O    doub N N 363 
SER   C   OXT  sing N N 364 
SER   CB  OG   sing N N 365 
SER   CB  HB2  sing N N 366 
SER   CB  HB3  sing N N 367 
SER   OG  HG   sing N N 368 
SER   OXT HXT  sing N N 369 
THR   N   CA   sing N N 370 
THR   N   H    sing N N 371 
THR   N   H2   sing N N 372 
THR   CA  C    sing N N 373 
THR   CA  CB   sing N N 374 
THR   CA  HA   sing N N 375 
THR   C   O    doub N N 376 
THR   C   OXT  sing N N 377 
THR   CB  OG1  sing N N 378 
THR   CB  CG2  sing N N 379 
THR   CB  HB   sing N N 380 
THR   OG1 HG1  sing N N 381 
THR   CG2 HG21 sing N N 382 
THR   CG2 HG22 sing N N 383 
THR   CG2 HG23 sing N N 384 
THR   OXT HXT  sing N N 385 
TRP   N   CA   sing N N 386 
TRP   N   H    sing N N 387 
TRP   N   H2   sing N N 388 
TRP   CA  C    sing N N 389 
TRP   CA  CB   sing N N 390 
TRP   CA  HA   sing N N 391 
TRP   C   O    doub N N 392 
TRP   C   OXT  sing N N 393 
TRP   CB  CG   sing N N 394 
TRP   CB  HB2  sing N N 395 
TRP   CB  HB3  sing N N 396 
TRP   CG  CD1  doub Y N 397 
TRP   CG  CD2  sing Y N 398 
TRP   CD1 NE1  sing Y N 399 
TRP   CD1 HD1  sing N N 400 
TRP   CD2 CE2  doub Y N 401 
TRP   CD2 CE3  sing Y N 402 
TRP   NE1 CE2  sing Y N 403 
TRP   NE1 HE1  sing N N 404 
TRP   CE2 CZ2  sing Y N 405 
TRP   CE3 CZ3  doub Y N 406 
TRP   CE3 HE3  sing N N 407 
TRP   CZ2 CH2  doub Y N 408 
TRP   CZ2 HZ2  sing N N 409 
TRP   CZ3 CH2  sing Y N 410 
TRP   CZ3 HZ3  sing N N 411 
TRP   CH2 HH2  sing N N 412 
TRP   OXT HXT  sing N N 413 
TYR   N   CA   sing N N 414 
TYR   N   H    sing N N 415 
TYR   N   H2   sing N N 416 
TYR   CA  C    sing N N 417 
TYR   CA  CB   sing N N 418 
TYR   CA  HA   sing N N 419 
TYR   C   O    doub N N 420 
TYR   C   OXT  sing N N 421 
TYR   CB  CG   sing N N 422 
TYR   CB  HB2  sing N N 423 
TYR   CB  HB3  sing N N 424 
TYR   CG  CD1  doub Y N 425 
TYR   CG  CD2  sing Y N 426 
TYR   CD1 CE1  sing Y N 427 
TYR   CD1 HD1  sing N N 428 
TYR   CD2 CE2  doub Y N 429 
TYR   CD2 HD2  sing N N 430 
TYR   CE1 CZ   doub Y N 431 
TYR   CE1 HE1  sing N N 432 
TYR   CE2 CZ   sing Y N 433 
TYR   CE2 HE2  sing N N 434 
TYR   CZ  OH   sing N N 435 
TYR   OH  HH   sing N N 436 
TYR   OXT HXT  sing N N 437 
VAL   N   CA   sing N N 438 
VAL   N   H    sing N N 439 
VAL   N   H2   sing N N 440 
VAL   CA  C    sing N N 441 
VAL   CA  CB   sing N N 442 
VAL   CA  HA   sing N N 443 
VAL   C   O    doub N N 444 
VAL   C   OXT  sing N N 445 
VAL   CB  CG1  sing N N 446 
VAL   CB  CG2  sing N N 447 
VAL   CB  HB   sing N N 448 
VAL   CG1 HG11 sing N N 449 
VAL   CG1 HG12 sing N N 450 
VAL   CG1 HG13 sing N N 451 
VAL   CG2 HG21 sing N N 452 
VAL   CG2 HG22 sing N N 453 
VAL   CG2 HG23 sing N N 454 
VAL   OXT HXT  sing N N 455 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      Other 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          'in-house model' 
# 
_atom_sites.entry_id                    9GBH 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.013497 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.013497 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.020142 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
F  9  9  3.539  10.282 2.641 4.294  1.517 0.262  1.024 26.148 0.346   
N  7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O  8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S  16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.184   
ZN 30 30 14.081 3.266  7.035 0.233  5.168 10.316 2.411 58.710 -0.308  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
ATOM   1    N  N   . ILE   A 1 1   ? -20.868 -30.074 -10.704 1.000 37.583  0 16  ILE   AAA N   1 ? 
ATOM   2    C  CA  . ILE   A 1 1   ? -21.283 -29.042 -11.692 1.000 37.204  0 16  ILE   AAA CA  1 ? 
ATOM   3    C  C   . ILE   A 1 1   ? -22.604 -29.477 -12.319 1.000 36.425  0 16  ILE   AAA C   1 ? 
ATOM   4    O  O   . ILE   A 1 1   ? -22.701 -30.561 -12.846 1.000 38.610  0 16  ILE   AAA O   1 ? 
ATOM   5    C  CB  . ILE   A 1 1   ? -20.185 -28.827 -12.746 1.000 39.373  0 16  ILE   AAA CB  1 ? 
ATOM   6    C  CG1 . ILE   A 1 1   ? -18.855 -28.437 -12.094 1.000 42.602  0 16  ILE   AAA CG1 1 ? 
ATOM   7    C  CG2 . ILE   A 1 1   ? -20.610 -27.813 -13.817 1.000 39.831  0 16  ILE   AAA CG2 1 ? 
ATOM   8    C  CD1 . ILE   A 1 1   ? -18.781 -26.994 -11.633 1.000 41.260  0 16  ILE   AAA CD1 1 ? 
ATOM   9    N  N   . ILE   A 1 2   ? -23.606 -28.600 -12.269 1.000 38.218  0 17  ILE   AAA N   1 ? 
ATOM   10   C  CA  . ILE   A 1 2   ? -24.918 -28.881 -12.809 1.000 40.092  0 17  ILE   AAA CA  1 ? 
ATOM   11   C  C   . ILE   A 1 2   ? -25.018 -28.233 -14.181 1.000 40.673  0 17  ILE   AAA C   1 ? 
ATOM   12   O  O   . ILE   A 1 2   ? -24.818 -27.029 -14.265 1.000 42.171  0 17  ILE   AAA O   1 ? 
ATOM   13   C  CB  . ILE   A 1 2   ? -26.003 -28.320 -11.879 1.000 39.289  0 17  ILE   AAA CB  1 ? 
ATOM   14   C  CG1 . ILE   A 1 2   ? -25.936 -28.978 -10.507 1.000 38.999  0 17  ILE   AAA CG1 1 ? 
ATOM   15   C  CG2 . ILE   A 1 2   ? -27.389 -28.444 -12.513 1.000 42.208  0 17  ILE   AAA CG2 1 ? 
ATOM   16   C  CD1 . ILE   A 1 2   ? -27.159 -28.706 -9.664  1.000 38.557  0 17  ILE   AAA CD1 1 ? 
ATOM   17   N  N   . GLY   A 1 3   ? -25.367 -29.024 -15.216 1.000 40.310  0 18  GLY   AAA N   1 ? 
ATOM   18   C  CA  . GLY   A 1 3   ? -25.653 -28.491 -16.544 1.000 40.386  0 18  GLY   AAA CA  1 ? 
ATOM   19   C  C   . GLY   A 1 3   ? -24.374 -28.138 -17.301 1.000 43.813  0 18  GLY   AAA C   1 ? 
ATOM   20   O  O   . GLY   A 1 3   ? -24.389 -27.339 -18.233 1.000 45.584  0 18  GLY   AAA O   1 ? 
ATOM   21   N  N   . GLY   A 1 4   ? -23.256 -28.747 -16.900 1.000 42.445  0 19  GLY   AAA N   1 ? 
ATOM   22   C  CA  . GLY   A 1 4   ? -22.002 -28.520 -17.595 1.000 45.561  0 19  GLY   AAA CA  1 ? 
ATOM   23   C  C   . GLY   A 1 4   ? -21.739 -29.596 -18.638 1.000 51.893  0 19  GLY   AAA C   1 ? 
ATOM   24   O  O   . GLY   A 1 4   ? -22.616 -30.420 -18.921 1.000 51.635  0 19  GLY   AAA O   1 ? 
ATOM   25   N  N   . THR   A 1 5   ? -20.519 -29.534 -19.197 1.000 54.249  0 20  THR   AAA N   1 ? 
ATOM   26   C  CA  . THR   A 1 5   ? -19.972 -30.554 -20.074 1.000 50.009  0 20  THR   AAA CA  1 ? 
ATOM   27   C  C   . THR   A 1 5   ? -18.689 -31.111 -19.463 1.000 49.153  0 20  THR   AAA C   1 ? 
ATOM   28   O  O   . THR   A 1 5   ? -17.978 -30.410 -18.740 1.000 43.234  0 20  THR   AAA O   1 ? 
ATOM   29   C  CB  . THR   A 1 5   ? -19.676 -29.985 -21.470 1.000 56.173  0 20  THR   AAA CB  1 ? 
ATOM   30   O  OG1 . THR   A 1 5   ? -18.777 -28.895 -21.278 1.000 58.291  0 20  THR   AAA OG1 1 ? 
ATOM   31   C  CG2 . THR   A 1 5   ? -20.910 -29.518 -22.221 1.000 58.570  0 20  THR   AAA CG2 1 ? 
ATOM   32   N  N   . GLU   A 1 6   ? -18.409 -32.385 -19.763 1.000 46.100  0 21  GLU   AAA N   1 ? 
ATOM   33   C  CA  . GLU   A 1 6   ? -17.141 -32.995 -19.429 1.000 45.848  0 21  GLU   AAA CA  1 ? 
ATOM   34   C  C   . GLU   A 1 6   ? -16.017 -32.211 -20.105 1.000 50.717  0 21  GLU   AAA C   1 ? 
ATOM   35   O  O   . GLU   A 1 6   ? -16.056 -32.007 -21.325 1.000 45.748  0 21  GLU   AAA O   1 ? 
ATOM   36   C  CB  . GLU   A 1 6   ? -17.091 -34.457 -19.890 1.000 45.948  0 21  GLU   AAA CB  1 ? 
ATOM   37   C  CG  . GLU   A 1 6   ? -15.885 -35.202 -19.342 1.000 46.295  0 21  GLU   AAA CG  1 ? 
ATOM   38   C  CD  . GLU   A 1 6   ? -15.711 -36.627 -19.823 1.000 48.922  0 21  GLU   AAA CD  1 ? 
ATOM   39   O  OE1 . GLU   A 1 6   ? -16.622 -37.118 -20.511 1.000 48.556  0 21  GLU   AAA OE1 1 ? 
ATOM   40   O  OE2 . GLU   A 1 6   ? -14.648 -37.232 -19.531 1.000 49.519  0 21  GLU   AAA OE2 1 ? 
ATOM   41   N  N   . CYS   A 1 7   ? -14.988 -31.864 -19.307 1.000 49.722  0 22  CYS   AAA N   1 ? 
ATOM   42   C  CA  . CYS   A 1 7   ? -13.785 -31.210 -19.804 1.000 47.337  0 22  CYS   AAA CA  1 ? 
ATOM   43   C  C   . CYS   A 1 7   ? -13.030 -32.130 -20.753 1.000 44.542  0 22  CYS   AAA C   1 ? 
ATOM   44   O  O   . CYS   A 1 7   ? -13.060 -33.339 -20.588 1.000 41.663  0 22  CYS   AAA O   1 ? 
ATOM   45   C  CB  . CYS   A 1 7   ? -12.831 -30.869 -18.672 1.000 50.519  0 22  CYS   AAA CB  1 ? 
ATOM   46   S  SG  . CYS   A 1 7   ? -13.448 -29.575 -17.572 1.000 48.177  0 22  CYS   AAA SG  1 ? 
ATOM   47   N  N   . LYS   A 1 8   ? -12.369 -31.542 -21.749 1.000 47.019  0 23  LYS   AAA N   1 ? 
ATOM   48   C  CA  . LYS   A 1 8   ? -11.260 -32.204 -22.416 1.000 51.651  0 23  LYS   AAA CA  1 ? 
ATOM   49   C  C   . LYS   A 1 8   ? -10.230 -32.606 -21.354 1.000 45.308  0 23  LYS   AAA C   1 ? 
ATOM   50   O  O   . LYS   A 1 8   ? -9.818  -31.789 -20.537 1.000 40.028  0 23  LYS   AAA O   1 ? 
ATOM   51   C  CB  . LYS   A 1 8   ? -10.612 -31.294 -23.471 1.000 60.178  0 23  LYS   AAA CB  1 ? 
ATOM   52   C  CG  . LYS   A 1 8   ? -9.498  -31.947 -24.292 1.000 69.185  0 23  LYS   AAA CG  1 ? 
ATOM   53   C  CD  . LYS   A 1 8   ? -9.042  -31.144 -25.507 1.000 79.099  0 23  LYS   AAA CD  1 ? 
ATOM   54   C  CE  . LYS   A 1 8   ? -10.201 -30.626 -26.341 1.000 89.906  0 23  LYS   AAA CE  1 ? 
ATOM   55   N  NZ  . LYS   A 1 8   ? -9.805  -30.283 -27.729 1.000 91.629  0 23  LYS   AAA NZ  1 ? 
ATOM   56   N  N   . PRO   A 1 9   ? -9.825  -33.889 -21.275 1.000 47.129  0 24  PRO   AAA N   1 ? 
ATOM   57   C  CA  . PRO   A 1 9   ? -8.935  -34.329 -20.198 1.000 45.777  0 24  PRO   AAA CA  1 ? 
ATOM   58   C  C   . PRO   A 1 9   ? -7.627  -33.541 -20.091 1.000 44.629  0 24  PRO   AAA C   1 ? 
ATOM   59   O  O   . PRO   A 1 9   ? -6.943  -33.318 -21.090 1.000 43.832  0 24  PRO   AAA O   1 ? 
ATOM   60   C  CB  . PRO   A 1 9   ? -8.701  -35.803 -20.565 1.000 48.364  0 24  PRO   AAA CB  1 ? 
ATOM   61   C  CG  . PRO   A 1 9   ? -9.993  -36.199 -21.276 1.000 49.119  0 24  PRO   AAA CG  1 ? 
ATOM   62   C  CD  . PRO   A 1 9   ? -10.280 -34.997 -22.143 1.000 46.029  0 24  PRO   AAA CD  1 ? 
ATOM   63   N  N   . HIS   A 1 10  ? -7.339  -33.073 -18.865 1.000 40.544  0 25  HIS   AAA N   1 ? 
ATOM   64   C  CA  . HIS   A 1 10  ? -6.109  -32.378 -18.518 1.000 42.531  0 25  HIS   AAA CA  1 ? 
ATOM   65   C  C   . HIS   A 1 10  ? -6.037  -30.989 -19.144 1.000 42.760  0 25  HIS   AAA C   1 ? 
ATOM   66   O  O   . HIS   A 1 10  ? -4.947  -30.429 -19.248 1.000 40.965  0 25  HIS   AAA O   1 ? 
ATOM   67   C  CB  . HIS   A 1 10  ? -4.873  -33.206 -18.896 1.000 43.763  0 25  HIS   AAA CB  1 ? 
ATOM   68   C  CG  . HIS   A 1 10  ? -4.993  -34.627 -18.462 1.000 40.102  0 25  HIS   AAA CG  1 ? 
ATOM   69   N  ND1 . HIS   A 1 10  ? -5.168  -34.961 -17.144 1.000 35.070  0 25  HIS   AAA ND1 1 ? 
ATOM   70   C  CD2 . HIS   A 1 10  ? -4.989  -35.795 -19.162 1.000 40.660  0 25  HIS   AAA CD2 1 ? 
ATOM   71   C  CE1 . HIS   A 1 10  ? -5.257  -36.299 -17.058 1.000 40.423  0 25  HIS   AAA CE1 1 ? 
ATOM   72   N  NE2 . HIS   A 1 10  ? -5.160  -36.824 -18.274 1.000 35.991  0 25  HIS   AAA NE2 1 ? 
ATOM   73   N  N   . SER   A 1 11  ? -7.191  -30.435 -19.536 1.000 40.463  0 26  SER   AAA N   1 ? 
ATOM   74   C  CA  . SER   A 1 11  ? -7.239  -29.127 -20.183 1.000 43.382  0 26  SER   AAA CA  1 ? 
ATOM   75   C  C   . SER   A 1 11  ? -7.273  -28.019 -19.132 1.000 41.621  0 26  SER   AAA C   1 ? 
ATOM   76   O  O   . SER   A 1 11  ? -7.240  -26.836 -19.466 1.000 36.578  0 26  SER   AAA O   1 ? 
ATOM   77   C  CB  . SER   A 1 11  ? -8.412  -29.002 -21.162 1.000 45.313  0 26  SER   AAA CB  1 ? 
ATOM   78   O  OG  . SER   A 1 11  ? -9.684  -28.996 -20.510 1.000 46.456  0 26  SER   AAA OG  1 ? 
ATOM   79   N  N   . ARG   A 1 12  ? -7.333  -28.402 -17.853 1.000 42.142  0 27  ARG   AAA N   1 ? 
ATOM   80   C  CA  . ARG   A 1 12  ? -7.354  -27.419 -16.787 1.000 41.258  0 27  ARG   AAA CA  1 ? 
ATOM   81   C  C   . ARG   A 1 12  ? -6.330  -27.869 -15.749 1.000 38.418  0 27  ARG   AAA C   1 ? 
ATOM   82   O  O   . ARG   A 1 12  ? -6.689  -28.341 -14.659 1.000 36.783  0 27  ARG   AAA O   1 ? 
ATOM   83   C  CB  . ARG   A 1 12  ? -8.804  -27.217 -16.323 1.000 45.303  0 27  ARG   AAA CB  1 ? 
ATOM   84   C  CG  . ARG   A 1 12  ? -9.727  -26.628 -17.392 1.000 48.248  0 27  ARG   AAA CG  1 ? 
ATOM   85   C  CD  . ARG   A 1 12  ? -11.010 -26.091 -16.776 1.000 62.697  0 27  ARG   AAA CD  1 ? 
ATOM   86   N  NE  . ARG   A 1 12  ? -11.915 -25.409 -17.697 1.000 68.048  0 27  ARG   AAA NE  1 ? 
ATOM   87   C  CZ  . ARG   A 1 12  ? -12.188 -24.102 -17.687 1.000 70.298  0 27  ARG   AAA CZ  1 ? 
ATOM   88   N  NH1 . ARG   A 1 12  ? -11.494 -23.262 -16.939 1.000 67.779  0 27  ARG   AAA NH1 1 ? 
ATOM   89   N  NH2 . ARG   A 1 12  ? -13.126 -23.622 -18.482 1.000 72.056  0 27  ARG   AAA NH2 1 ? 
ATOM   90   N  N   . PRO   A 1 13  ? -5.020  -27.728 -16.089 1.000 36.554  0 28  PRO   AAA N   1 ? 
ATOM   91   C  CA  . PRO   A 1 13  ? -3.935  -28.440 -15.401 1.000 33.328  0 28  PRO   AAA CA  1 ? 
ATOM   92   C  C   . PRO   A 1 13  ? -3.611  -27.990 -13.977 1.000 34.667  0 28  PRO   AAA C   1 ? 
ATOM   93   O  O   . PRO   A 1 13  ? -2.885  -28.666 -13.233 1.000 29.003  0 28  PRO   AAA O   1 ? 
ATOM   94   C  CB  . PRO   A 1 13  ? -2.698  -28.203 -16.266 1.000 35.349  0 28  PRO   AAA CB  1 ? 
ATOM   95   C  CG  . PRO   A 1 13  ? -3.040  -27.056 -17.203 1.000 36.325  0 28  PRO   AAA CG  1 ? 
ATOM   96   C  CD  . PRO   A 1 13  ? -4.546  -26.955 -17.251 1.000 37.518  0 28  PRO   AAA CD  1 ? 
ATOM   97   N  N   . TYR   A 1 14  ? -4.173  -26.839 -13.610 1.000 33.322  0 29  TYR   AAA N   1 ? 
ATOM   98   C  CA  . TYR   A 1 14  ? -4.056  -26.327 -12.259 1.000 34.854  0 29  TYR   AAA CA  1 ? 
ATOM   99   C  C   . TYR   A 1 14  ? -5.092  -26.965 -11.309 1.000 35.533  0 29  TYR   AAA C   1 ? 
ATOM   100  O  O   . TYR   A 1 14  ? -4.968  -26.815 -10.099 1.000 41.194  0 29  TYR   AAA O   1 ? 
ATOM   101  C  CB  . TYR   A 1 14  ? -4.146  -24.797 -12.328 1.000 33.109  0 29  TYR   AAA CB  1 ? 
ATOM   102  C  CG  . TYR   A 1 14  ? -5.290  -24.322 -13.177 1.000 33.912  0 29  TYR   AAA CG  1 ? 
ATOM   103  C  CD1 . TYR   A 1 14  ? -6.583  -24.443 -12.712 1.000 33.446  0 29  TYR   AAA CD1 1 ? 
ATOM   104  C  CD2 . TYR   A 1 14  ? -5.095  -23.912 -14.490 1.000 31.288  0 29  TYR   AAA CD2 1 ? 
ATOM   105  C  CE1 . TYR   A 1 14  ? -7.664  -24.117 -13.500 1.000 33.617  0 29  TYR   AAA CE1 1 ? 
ATOM   106  C  CE2 . TYR   A 1 14  ? -6.169  -23.625 -15.307 1.000 32.441  0 29  TYR   AAA CE2 1 ? 
ATOM   107  C  CZ  . TYR   A 1 14  ? -7.457  -23.698 -14.797 1.000 33.978  0 29  TYR   AAA CZ  1 ? 
ATOM   108  O  OH  . TYR   A 1 14  ? -8.579  -23.343 -15.502 1.000 34.057  0 29  TYR   AAA OH  1 ? 
ATOM   109  N  N   . MET   A 1 15  ? -6.121  -27.672 -11.808 1.000 37.952  0 30  MET   AAA N   1 ? 
ATOM   110  C  CA  . MET   A 1 15  ? -7.201  -28.173 -10.954 1.000 32.838  0 30  MET   AAA CA  1 ? 
ATOM   111  C  C   . MET   A 1 15  ? -6.709  -29.255 -9.984  1.000 34.088  0 30  MET   AAA C   1 ? 
ATOM   112  O  O   . MET   A 1 15  ? -5.920  -30.140 -10.346 1.000 32.291  0 30  MET   AAA O   1 ? 
ATOM   113  C  CB  . MET   A 1 15  ? -8.335  -28.748 -11.805 1.000 36.270  0 30  MET   AAA CB  1 ? 
ATOM   114  C  CG  . MET   A 1 15  ? -9.183  -27.657 -12.480 1.000 40.423  0 30  MET   AAA CG  1 ? 
ATOM   115  S  SD  . MET   A 1 15  ? -9.975  -26.514 -11.318 1.000 36.249  0 30  MET   AAA SD  1 ? 
ATOM   116  C  CE  . MET   A 1 15  ? -10.939 -27.649 -10.309 1.000 37.423  0 30  MET   AAA CE  1 ? 
ATOM   117  N  N   . ALA   A 1 16  ? -7.181  -29.166 -8.727  1.000 31.785  0 31  ALA   AAA N   1 ? 
ATOM   118  C  CA  . ALA   A 1 16  ? -6.770  -30.075 -7.671  1.000 29.938  0 31  ALA   AAA CA  1 ? 
ATOM   119  C  C   . ALA   A 1 16  ? -7.985  -30.731 -7.048  1.000 30.656  0 31  ALA   AAA C   1 ? 
ATOM   120  O  O   . ALA   A 1 16  ? -9.016  -30.081 -6.861  1.000 31.006  0 31  ALA   AAA O   1 ? 
ATOM   121  C  CB  . ALA   A 1 16  ? -6.006  -29.329 -6.621  1.000 32.383  0 31  ALA   AAA CB  1 ? 
ATOM   122  N  N   . TYR   A 1 17  ? -7.863  -32.034 -6.776  1.000 30.912  0 32  TYR   AAA N   1 ? 
ATOM   123  C  CA  . TYR   A 1 17  ? -8.915  -32.784 -6.116  1.000 29.740  0 32  TYR   AAA CA  1 ? 
ATOM   124  C  C   . TYR   A 1 17  ? -8.474  -33.012 -4.669  1.000 32.059  0 32  TYR   AAA C   1 ? 
ATOM   125  O  O   . TYR   A 1 17  ? -7.369  -33.506 -4.388  1.000 30.514  0 32  TYR   AAA O   1 ? 
ATOM   126  C  CB  . TYR   A 1 17  ? -9.240  -34.018 -6.961  1.000 31.522  0 32  TYR   AAA CB  1 ? 
ATOM   127  C  CG  . TYR   A 1 17  ? -10.281 -34.960 -6.394  1.000 36.128  0 32  TYR   AAA CG  1 ? 
ATOM   128  C  CD1 . TYR   A 1 17  ? -9.907  -36.002 -5.559  1.000 38.949  0 32  TYR   AAA CD1 1 ? 
ATOM   129  C  CD2 . TYR   A 1 17  ? -11.632 -34.823 -6.678  1.000 39.636  0 32  TYR   AAA CD2 1 ? 
ATOM   130  C  CE1 . TYR   A 1 17  ? -10.826 -36.909 -5.070  1.000 42.537  0 32  TYR   AAA CE1 1 ? 
ATOM   131  C  CE2 . TYR   A 1 17  ? -12.579 -35.701 -6.163  1.000 40.873  0 32  TYR   AAA CE2 1 ? 
ATOM   132  C  CZ  . TYR   A 1 17  ? -12.174 -36.746 -5.351  1.000 46.248  0 32  TYR   AAA CZ  1 ? 
ATOM   133  O  OH  . TYR   A 1 17  ? -13.063 -37.659 -4.820  1.000 44.987  0 32  TYR   AAA OH  1 ? 
ATOM   134  N  N   . LEU   A 1 18  ? -9.337  -32.591 -3.738  1.000 32.488  0 33  LEU   AAA N   1 ? 
ATOM   135  C  CA  . LEU   A 1 18  ? -9.027  -32.649 -2.322  1.000 32.612  0 33  LEU   AAA CA  1 ? 
ATOM   136  C  C   . LEU   A 1 18  ? -9.870  -33.740 -1.682  1.000 30.027  0 33  LEU   AAA C   1 ? 
ATOM   137  O  O   . LEU   A 1 18  ? -11.073 -33.717 -1.813  1.000 28.590  0 33  LEU   AAA O   1 ? 
ATOM   138  C  CB  . LEU   A 1 18  ? -9.340  -31.288 -1.690  1.000 33.243  0 33  LEU   AAA CB  1 ? 
ATOM   139  C  CG  . LEU   A 1 18  ? -8.226  -30.250 -1.740  1.000 32.649  0 33  LEU   AAA CG  1 ? 
ATOM   140  C  CD1 . LEU   A 1 18  ? -7.777  -30.020 -3.170  1.000 38.710  0 33  LEU   AAA CD1 1 ? 
ATOM   141  C  CD2 . LEU   A 1 18  ? -8.694  -28.938 -1.104  1.000 33.420  0 33  LEU   AAA CD2 1 ? 
ATOM   142  N  N   . GLU   A 1 19  ? -9.221  -34.695 -1.022  1.000 35.373  0 34  GLU   AAA N   1 ? 
ATOM   143  C  CA  . GLU   A 1 19  ? -9.888  -35.588 -0.087  1.000 39.418  0 34  GLU   AAA CA  1 ? 
ATOM   144  C  C   . GLU   A 1 19  ? -9.613  -35.086 1.332   1.000 36.828  0 34  GLU   AAA C   1 ? 
ATOM   145  O  O   . GLU   A 1 19  ? -8.462  -34.950 1.744   1.000 36.315  0 34  GLU   AAA O   1 ? 
ATOM   146  C  CB  . GLU   A 1 19  ? -9.416  -37.032 -0.295  1.000 43.100  0 34  GLU   AAA CB  1 ? 
ATOM   147  C  CG  . GLU   A 1 19  ? -10.005 -38.039 0.694   1.000 45.627  0 34  GLU   AAA CG  1 ? 
ATOM   148  C  CD  . GLU   A 1 19  ? -9.783  -39.494 0.308   1.000 54.662  0 34  GLU   AAA CD  1 ? 
ATOM   149  O  OE1 . GLU   A 1 19  ? -9.335  -39.744 -0.833  1.000 49.680  0 34  GLU   AAA OE1 1 ? 
ATOM   150  O  OE2 . GLU   A 1 19  ? -10.057 -40.380 1.152   1.000 63.097  0 34  GLU   AAA OE2 1 ? 
ATOM   151  N  N   . ILE   A 1 20  ? -10.686 -34.802 2.069   1.000 36.839  0 35  ILE   AAA N   1 ? 
ATOM   152  C  CA  . ILE   A 1 20  ? -10.584 -34.188 3.385   1.000 35.352  0 35  ILE   AAA CA  1 ? 
ATOM   153  C  C   . ILE   A 1 20  ? -11.002 -35.179 4.468   1.000 39.639  0 35  ILE   AAA C   1 ? 
ATOM   154  O  O   . ILE   A 1 20  ? -12.135 -35.688 4.439   1.000 42.589  0 35  ILE   AAA O   1 ? 
ATOM   155  C  CB  . ILE   A 1 20  ? -11.436 -32.911 3.378   1.000 36.123  0 35  ILE   AAA CB  1 ? 
ATOM   156  C  CG1 . ILE   A 1 20  ? -10.868 -31.933 2.343   1.000 35.154  0 35  ILE   AAA CG1 1 ? 
ATOM   157  C  CG2 . ILE   A 1 20  ? -11.520 -32.298 4.775   1.000 33.901  0 35  ILE   AAA CG2 1 ? 
ATOM   158  C  CD1 . ILE   A 1 20  ? -11.884 -31.204 1.582   1.000 35.586  0 35  ILE   AAA CD1 1 ? 
ATOM   159  N  N   . VAL   A 1 21  ? -10.075 -35.425 5.415   1.000 37.631  0 36  VAL   AAA N   1 ? 
ATOM   160  C  CA  . VAL   A 1 21  ? -10.270 -36.392 6.488   1.000 43.226  0 36  VAL   AAA CA  1 ? 
ATOM   161  C  C   . VAL   A 1 21  ? -10.609 -35.609 7.758   1.000 43.895  0 36  VAL   AAA C   1 ? 
ATOM   162  O  O   . VAL   A 1 21  ? -9.927  -34.627 8.051   1.000 45.777  0 36  VAL   AAA O   1 ? 
ATOM   163  C  CB  . VAL   A 1 21  ? -9.016  -37.296 6.673   1.000 45.708  0 36  VAL   AAA CB  1 ? 
ATOM   164  C  CG1 . VAL   A 1 21  ? -9.040  -38.087 7.979   1.000 45.145  0 36  VAL   AAA CG1 1 ? 
ATOM   165  C  CG2 . VAL   A 1 21  ? -8.791  -38.253 5.499   1.000 42.474  0 36  VAL   AAA CG2 1 ? 
ATOM   166  N  N   . THR   A 1 22  A -11.685 -36.030 8.447   1.000 43.397  0 36  THR   AAA N   1 ? 
ATOM   167  C  CA  . THR   A 1 22  A -12.046 -35.619 9.803   1.000 45.729  0 36  THR   AAA CA  1 ? 
ATOM   168  C  C   . THR   A 1 22  A -12.040 -36.831 10.743  1.000 50.430  0 36  THR   AAA C   1 ? 
ATOM   169  O  O   . THR   A 1 22  A -12.054 -37.967 10.273  1.000 47.311  0 36  THR   AAA O   1 ? 
ATOM   170  C  CB  . THR   A 1 22  A -13.446 -34.996 9.861   1.000 46.698  0 36  THR   AAA CB  1 ? 
ATOM   171  O  OG1 . THR   A 1 22  A -14.401 -35.823 9.181   1.000 44.800  0 36  THR   AAA OG1 1 ? 
ATOM   172  C  CG2 . THR   A 1 22  A -13.474 -33.621 9.244   1.000 47.758  0 36  THR   AAA CG2 1 ? 
ATOM   173  N  N   . SER   A 1 23  B -12.067 -36.580 12.068  1.000 57.267  0 36  SER   AAA N   1 ? 
ATOM   174  C  CA  . SER   A 1 23  B -11.937 -37.614 13.098  1.000 55.857  0 36  SER   AAA CA  1 ? 
ATOM   175  C  C   . SER   A 1 23  B -13.254 -38.348 13.382  1.000 52.935  0 36  SER   AAA C   1 ? 
ATOM   176  O  O   . SER   A 1 23  B -13.241 -39.481 13.856  1.000 56.704  0 36  SER   AAA O   1 ? 
ATOM   177  C  CB  . SER   A 1 23  B -11.381 -37.039 14.399  1.000 60.255  0 36  SER   AAA CB  1 ? 
ATOM   178  O  OG  . SER   A 1 23  B -9.954  -37.072 14.406  1.000 69.679  0 36  SER   AAA OG  1 ? 
ATOM   179  N  N   . ASN   A 1 24  C -14.385 -37.694 13.120  1.000 49.969  0 36  ASN   AAA N   1 ? 
ATOM   180  C  CA  . ASN   A 1 24  C -15.687 -38.192 13.525  1.000 53.567  0 36  ASN   AAA CA  1 ? 
ATOM   181  C  C   . ASN   A 1 24  C -16.548 -38.534 12.301  1.000 48.701  0 36  ASN   AAA C   1 ? 
ATOM   182  O  O   . ASN   A 1 24  C -17.713 -38.826 12.445  1.000 45.840  0 36  ASN   AAA O   1 ? 
ATOM   183  C  CB  . ASN   A 1 24  C -16.358 -37.138 14.402  1.000 58.578  0 36  ASN   AAA CB  1 ? 
ATOM   184  C  CG  . ASN   A 1 24  C -16.541 -35.844 13.631  1.000 64.023  0 36  ASN   AAA CG  1 ? 
ATOM   185  O  OD1 . ASN   A 1 24  C -15.774 -35.559 12.708  1.000 54.285  0 36  ASN   AAA OD1 1 ? 
ATOM   186  N  ND2 . ASN   A 1 24  C -17.590 -35.094 13.945  1.000 67.129  0 36  ASN   AAA ND2 1 ? 
ATOM   187  N  N   . GLY   A 1 25  ? -15.996 -38.529 11.082  1.000 52.067  0 37  GLY   AAA N   1 ? 
ATOM   188  C  CA  . GLY   A 1 25  ? -16.807 -38.768 9.896   1.000 47.587  0 37  GLY   AAA CA  1 ? 
ATOM   189  C  C   . GLY   A 1 25  ? -15.988 -39.366 8.758   1.000 44.953  0 37  GLY   AAA C   1 ? 
ATOM   190  O  O   . GLY   A 1 25  ? -14.765 -39.359 8.812   1.000 46.203  0 37  GLY   AAA O   1 ? 
ATOM   191  N  N   . PRO   A 1 26  ? -16.624 -39.905 7.691   1.000 46.829  0 38  PRO   AAA N   1 ? 
ATOM   192  C  CA  . PRO   A 1 26  ? -15.891 -40.360 6.498   1.000 49.014  0 38  PRO   AAA CA  1 ? 
ATOM   193  C  C   . PRO   A 1 26  ? -15.294 -39.231 5.650   1.000 38.820  0 38  PRO   AAA C   1 ? 
ATOM   194  O  O   . PRO   A 1 26  ? -15.509 -38.068 5.909   1.000 39.442  0 38  PRO   AAA O   1 ? 
ATOM   195  C  CB  . PRO   A 1 26  ? -16.985 -41.118 5.728   1.000 46.574  0 38  PRO   AAA CB  1 ? 
ATOM   196  C  CG  . PRO   A 1 26  ? -18.249 -40.373 6.100   1.000 44.011  0 38  PRO   AAA CG  1 ? 
ATOM   197  C  CD  . PRO   A 1 26  ? -18.071 -40.111 7.573   1.000 42.966  0 38  PRO   AAA CD  1 ? 
ATOM   198  N  N   . SER   A 1 27  ? -14.520 -39.582 4.632   1.000 40.510  0 39  SER   AAA N   1 ? 
ATOM   199  C  CA  . SER   A 1 27  ? -13.858 -38.601 3.788   1.000 38.431  0 39  SER   AAA CA  1 ? 
ATOM   200  C  C   . SER   A 1 27  ? -14.868 -37.629 3.184   1.000 36.978  0 39  SER   AAA C   1 ? 
ATOM   201  O  O   . SER   A 1 27  ? -15.981 -38.025 2.882   1.000 38.176  0 39  SER   AAA O   1 ? 
ATOM   202  C  CB  . SER   A 1 27  ? -13.072 -39.285 2.729   1.000 38.844  0 39  SER   AAA CB  1 ? 
ATOM   203  O  OG  . SER   A 1 27  ? -11.983 -40.010 3.294   1.000 44.179  0 39  SER   AAA OG  1 ? 
ATOM   204  N  N   . LYS   A 1 28  ? -14.469 -36.348 3.090   1.000 43.571  0 40  LYS   AAA N   1 ? 
ATOM   205  C  CA  . LYS   A 1 28  ? -15.173 -35.304 2.353   1.000 45.387  0 40  LYS   AAA CA  1 ? 
ATOM   206  C  C   . LYS   A 1 28  ? -14.329 -34.929 1.135   1.000 38.836  0 40  LYS   AAA C   1 ? 
ATOM   207  O  O   . LYS   A 1 28  ? -13.129 -35.222 1.069   1.000 36.554  0 40  LYS   AAA O   1 ? 
ATOM   208  C  CB  . LYS   A 1 28  ? -15.440 -34.083 3.249   1.000 50.790  0 40  LYS   AAA CB  1 ? 
ATOM   209  C  CG  . LYS   A 1 28  ? -15.926 -32.821 2.535   1.000 59.294  0 40  LYS   AAA CG  1 ? 
ATOM   210  C  CD  . LYS   A 1 28  ? -16.044 -31.547 3.396   1.000 67.758  0 40  LYS   AAA CD  1 ? 
ATOM   211  C  CE  . LYS   A 1 28  ? -16.198 -30.263 2.589   1.000 65.532  0 40  LYS   AAA CE  1 ? 
ATOM   212  N  NZ  . LYS   A 1 28  ? -17.605 -29.859 2.335   1.000 60.149  0 40  LYS   AAA NZ  1 ? 
ATOM   213  N  N   . PHE   A 1 29  ? -14.948 -34.271 0.155   1.000 37.612  0 41  PHE   AAA N   1 ? 
ATOM   214  C  CA  . PHE   A 1 29  ? -14.246 -33.986 -1.090  1.000 41.534  0 41  PHE   AAA CA  1 ? 
ATOM   215  C  C   . PHE   A 1 29  ? -14.387 -32.505 -1.458  1.000 34.036  0 41  PHE   AAA C   1 ? 
ATOM   216  O  O   . PHE   A 1 29  ? -15.439 -31.899 -1.300  1.000 35.044  0 41  PHE   AAA O   1 ? 
ATOM   217  C  CB  . PHE   A 1 29  ? -14.710 -35.009 -2.138  1.000 47.950  0 41  PHE   AAA CB  1 ? 
ATOM   218  C  CG  . PHE   A 1 29  ? -14.504 -36.449 -1.704  1.000 48.258  0 41  PHE   AAA CG  1 ? 
ATOM   219  C  CD1 . PHE   A 1 29  ? -15.458 -37.117 -0.936  1.000 48.440  0 41  PHE   AAA CD1 1 ? 
ATOM   220  C  CD2 . PHE   A 1 29  ? -13.324 -37.131 -2.004  1.000 50.801  0 41  PHE   AAA CD2 1 ? 
ATOM   221  C  CE1 . PHE   A 1 29  ? -15.237 -38.416 -0.479  1.000 44.574  0 41  PHE   AAA CE1 1 ? 
ATOM   222  C  CE2 . PHE   A 1 29  ? -13.126 -38.447 -1.587  1.000 48.395  0 41  PHE   AAA CE2 1 ? 
ATOM   223  C  CZ  . PHE   A 1 29  ? -14.083 -39.087 -0.828  1.000 44.376  0 41  PHE   AAA CZ  1 ? 
ATOM   224  N  N   . CYS   A 1 30  ? -13.304 -31.882 -1.933  1.000 33.620  0 42  CYS   AAA N   1 ? 
ATOM   225  C  CA  . CYS   A 1 30  ? -13.391 -30.503 -2.397  1.000 32.199  0 42  CYS   AAA CA  1 ? 
ATOM   226  C  C   . CYS   A 1 30  ? -12.608 -30.369 -3.689  1.000 30.719  0 42  CYS   AAA C   1 ? 
ATOM   227  O  O   . CYS   A 1 30  ? -11.868 -31.261 -4.045  1.000 34.088  0 42  CYS   AAA O   1 ? 
ATOM   228  C  CB  . CYS   A 1 30  ? -12.902 -29.491 -1.354  1.000 34.907  0 42  CYS   AAA CB  1 ? 
ATOM   229  S  SG  . CYS   A 1 30  ? -14.170 -29.008 -0.137  1.000 32.570  0 42  CYS   AAA SG  1 ? 
ATOM   230  N  N   . GLY   A 1 31  ? -12.825 -29.265 -4.394  1.000 32.059  0 43  GLY   AAA N   1 ? 
ATOM   231  C  CA  . GLY   A 1 31  ? -11.894 -28.769 -5.388  1.000 30.264  0 43  GLY   AAA CA  1 ? 
ATOM   232  C  C   . GLY   A 1 31  ? -10.934 -27.729 -4.814  1.000 32.612  0 43  GLY   AAA C   1 ? 
ATOM   233  O  O   . GLY   A 1 31  ? -10.952 -27.430 -3.605  1.000 31.762  0 43  GLY   AAA O   1 ? 
ATOM   234  N  N   . GLY   A 1 32  ? -10.127 -27.174 -5.737  1.000 31.756  0 44  GLY   AAA N   1 ? 
ATOM   235  C  CA  . GLY   A 1 32  ? -8.971  -26.345 -5.434  1.000 30.272  0 44  GLY   AAA CA  1 ? 
ATOM   236  C  C   . GLY   A 1 32  ? -8.088  -26.154 -6.672  1.000 29.975  0 44  GLY   AAA C   1 ? 
ATOM   237  O  O   . GLY   A 1 32  ? -8.311  -26.793 -7.705  1.000 29.914  0 44  GLY   AAA O   1 ? 
ATOM   238  N  N   . PHE   A 1 33  ? -7.068  -25.291 -6.562  1.000 28.946  0 45  PHE   AAA N   1 ? 
ATOM   239  C  CA  . PHE   A 1 33  ? -6.245  -24.954 -7.710  1.000 30.920  0 45  PHE   AAA CA  1 ? 
ATOM   240  C  C   . PHE   A 1 33  ? -4.817  -24.576 -7.288  1.000 34.096  0 45  PHE   AAA C   1 ? 
ATOM   241  O  O   . PHE   A 1 33  ? -4.589  -23.974 -6.250  1.000 35.165  0 45  PHE   AAA O   1 ? 
ATOM   242  C  CB  . PHE   A 1 33  ? -6.971  -23.928 -8.580  1.000 35.889  0 45  PHE   AAA CB  1 ? 
ATOM   243  C  CG  . PHE   A 1 33  ? -7.372  -22.615 -7.938  1.000 37.207  0 45  PHE   AAA CG  1 ? 
ATOM   244  C  CD1 . PHE   A 1 33  ? -8.443  -22.544 -7.057  1.000 39.413  0 45  PHE   AAA CD1 1 ? 
ATOM   245  C  CD2 . PHE   A 1 33  ? -6.710  -21.440 -8.258  1.000 37.615  0 45  PHE   AAA CD2 1 ? 
ATOM   246  C  CE1 . PHE   A 1 33  ? -8.846  -21.326 -6.527  1.000 43.342  0 45  PHE   AAA CE1 1 ? 
ATOM   247  C  CE2 . PHE   A 1 33  ? -7.092  -20.225 -7.700  1.000 37.610  0 45  PHE   AAA CE2 1 ? 
ATOM   248  C  CZ  . PHE   A 1 33  ? -8.173  -20.166 -6.858  1.000 38.684  0 45  PHE   AAA CZ  1 ? 
ATOM   249  N  N   . LEU   A 1 34  ? -3.851  -25.023 -8.107  1.000 33.070  0 46  LEU   AAA N   1 ? 
ATOM   250  C  CA  . LEU   A 1 34  ? -2.434  -24.851 -7.875  1.000 34.502  0 46  LEU   AAA CA  1 ? 
ATOM   251  C  C   . LEU   A 1 34  ? -1.976  -23.465 -8.347  1.000 35.828  0 46  LEU   AAA C   1 ? 
ATOM   252  O  O   . LEU   A 1 34  ? -2.092  -23.141 -9.529  1.000 36.402  0 46  LEU   AAA O   1 ? 
ATOM   253  C  CB  . LEU   A 1 34  ? -1.731  -25.979 -8.647  1.000 34.415  0 46  LEU   AAA CB  1 ? 
ATOM   254  C  CG  . LEU   A 1 34  ? -0.254  -26.208 -8.311  1.000 33.909  0 46  LEU   AAA CG  1 ? 
ATOM   255  C  CD1 . LEU   A 1 34  ? -0.106  -26.799 -6.923  1.000 33.354  0 46  LEU   AAA CD1 1 ? 
ATOM   256  C  CD2 . LEU   A 1 34  ? 0.415   -27.115 -9.334  1.000 35.049  0 46  LEU   AAA CD2 1 ? 
ATOM   257  N  N   . ILE   A 1 35  ? -1.441  -22.671 -7.410  1.000 38.194  0 47  ILE   AAA N   1 ? 
ATOM   258  C  CA  . ILE   A 1 35  ? -0.956  -21.324 -7.683  1.000 39.070  0 47  ILE   AAA CA  1 ? 
ATOM   259  C  C   . ILE   A 1 35  ? 0.561   -21.246 -7.501  1.000 37.244  0 47  ILE   AAA C   1 ? 
ATOM   260  O  O   . ILE   A 1 35  ? 1.195   -20.415 -8.134  1.000 40.350  0 47  ILE   AAA O   1 ? 
ATOM   261  C  CB  . ILE   A 1 35  ? -1.699  -20.231 -6.872  1.000 41.763  0 47  ILE   AAA CB  1 ? 
ATOM   262  C  CG1 . ILE   A 1 35  ? -1.534  -20.347 -5.352  1.000 41.697  0 47  ILE   AAA CG1 1 ? 
ATOM   263  C  CG2 . ILE   A 1 35  ? -3.177  -20.167 -7.256  1.000 45.124  0 47  ILE   AAA CG2 1 ? 
ATOM   264  C  CD1 . ILE   A 1 35  ? -1.657  -19.002 -4.648  1.000 40.547  0 47  ILE   AAA CD1 1 ? 
ATOM   265  N  N   . ARG   A 1 36  ? 1.150   -22.089 -6.642  1.000 36.807  0 48  ARG   AAA N   1 ? 
ATOM   266  C  CA  . ARG   A 1 36  ? 2.582   -22.355 -6.692  1.000 38.297  0 48  ARG   AAA CA  1 ? 
ATOM   267  C  C   . ARG   A 1 36  ? 2.781   -23.864 -6.751  1.000 34.878  0 48  ARG   AAA C   1 ? 
ATOM   268  O  O   . ARG   A 1 36  ? 1.896   -24.596 -6.363  1.000 35.452  0 48  ARG   AAA O   1 ? 
ATOM   269  C  CB  . ARG   A 1 36  ? 3.332   -21.792 -5.470  1.000 41.360  0 48  ARG   AAA CB  1 ? 
ATOM   270  C  CG  . ARG   A 1 36  ? 3.244   -20.280 -5.259  1.000 43.205  0 48  ARG   AAA CG  1 ? 
ATOM   271  C  CD  . ARG   A 1 36  ? 3.980   -19.419 -6.280  1.000 43.608  0 48  ARG   AAA CD  1 ? 
ATOM   272  N  NE  . ARG   A 1 36  ? 3.974   -17.984 -5.956  1.000 47.303  0 48  ARG   AAA NE  1 ? 
ATOM   273  C  CZ  . ARG   A 1 36  ? 3.187   -17.064 -6.527  1.000 47.121  0 48  ARG   AAA CZ  1 ? 
ATOM   274  N  NH1 . ARG   A 1 36  ? 2.240   -17.411 -7.383  1.000 47.629  0 48  ARG   AAA NH1 1 ? 
ATOM   275  N  NH2 . ARG   A 1 36  ? 3.325   -15.786 -6.228  1.000 43.292  0 48  ARG   AAA NH2 1 ? 
ATOM   276  N  N   . ARG   A 1 37  ? 3.987   -24.322 -7.108  1.000 36.202  0 49  ARG   AAA N   1 ? 
ATOM   277  C  CA  . ARG   A 1 37  ? 4.259   -25.747 -7.157  1.000 32.762  0 49  ARG   AAA CA  1 ? 
ATOM   278  C  C   . ARG   A 1 37  ? 4.021   -26.405 -5.797  1.000 33.233  0 49  ARG   AAA C   1 ? 
ATOM   279  O  O   . ARG   A 1 37  ? 3.710   -27.604 -5.767  1.000 35.641  0 49  ARG   AAA O   1 ? 
ATOM   280  C  CB  . ARG   A 1 37  ? 5.654   -26.025 -7.732  1.000 33.970  0 49  ARG   AAA CB  1 ? 
ATOM   281  C  CG  . ARG   A 1 37  ? 5.774   -25.697 -9.218  1.000 34.791  0 49  ARG   AAA CG  1 ? 
ATOM   282  C  CD  . ARG   A 1 37  ? 7.176   -25.838 -9.786  1.000 34.665  0 49  ARG   AAA CD  1 ? 
ATOM   283  N  NE  . ARG   A 1 37  ? 7.632   -27.213 -9.896  1.000 34.330  0 49  ARG   AAA NE  1 ? 
ATOM   284  C  CZ  . ARG   A 1 37  ? 8.846   -27.580 -10.272 1.000 34.507  0 49  ARG   AAA CZ  1 ? 
ATOM   285  N  NH1 . ARG   A 1 37  ? 9.774   -26.675 -10.494 1.000 41.144  0 49  ARG   AAA NH1 1 ? 
ATOM   286  N  NH2 . ARG   A 1 37  ? 9.148   -28.855 -10.405 1.000 34.754  0 49  ARG   AAA NH2 1 ? 
ATOM   287  N  N   . ASN   A 1 38  ? 4.141   -25.661 -4.681  1.000 33.407  0 50  ASN   AAA N   1 ? 
ATOM   288  C  CA  . ASN   A 1 38  ? 3.836   -26.249 -3.380  1.000 33.233  0 50  ASN   AAA CA  1 ? 
ATOM   289  C  C   . ASN   A 1 38  ? 2.684   -25.571 -2.640  1.000 37.144  0 50  ASN   AAA C   1 ? 
ATOM   290  O  O   . ASN   A 1 38  ? 2.562   -25.736 -1.425  1.000 38.431  0 50  ASN   AAA O   1 ? 
ATOM   291  C  CB  . ASN   A 1 38  ? 5.052   -26.341 -2.469  1.000 34.138  0 50  ASN   AAA CB  1 ? 
ATOM   292  C  CG  . ASN   A 1 38  ? 5.689   -25.008 -2.157  1.000 32.314  0 50  ASN   AAA CG  1 ? 
ATOM   293  O  OD1 . ASN   A 1 38  ? 5.357   -23.996 -2.768  1.000 39.478  0 50  ASN   AAA OD1 1 ? 
ATOM   294  N  ND2 . ASN   A 1 38  ? 6.630   -25.016 -1.232  1.000 31.959  0 50  ASN   AAA ND2 1 ? 
ATOM   295  N  N   . PHE   A 1 39  ? 1.801   -24.869 -3.360  1.000 38.389  0 51  PHE   AAA N   1 ? 
ATOM   296  C  CA  . PHE   A 1 39  ? 0.639   -24.277 -2.720  1.000 36.789  0 51  PHE   AAA CA  1 ? 
ATOM   297  C  C   . PHE   A 1 39  ? -0.602  -24.408 -3.590  1.000 37.236  0 51  PHE   AAA C   1 ? 
ATOM   298  O  O   . PHE   A 1 39  ? -0.555  -24.182 -4.813  1.000 35.307  0 51  PHE   AAA O   1 ? 
ATOM   299  C  CB  . PHE   A 1 39  ? 0.847   -22.801 -2.424  1.000 35.904  0 51  PHE   AAA CB  1 ? 
ATOM   300  C  CG  . PHE   A 1 39  ? 1.493   -22.518 -1.101  1.000 38.349  0 51  PHE   AAA CG  1 ? 
ATOM   301  C  CD1 . PHE   A 1 39  ? 0.726   -22.447 0.052   1.000 39.928  0 51  PHE   AAA CD1 1 ? 
ATOM   302  C  CD2 . PHE   A 1 39  ? 2.856   -22.307 -1.010  1.000 38.160  0 51  PHE   AAA CD2 1 ? 
ATOM   303  C  CE1 . PHE   A 1 39  ? 1.318   -22.173 1.273   1.000 37.536  0 51  PHE   AAA CE1 1 ? 
ATOM   304  C  CE2 . PHE   A 1 39  ? 3.438   -21.999 0.213   1.000 39.547  0 51  PHE   AAA CE2 1 ? 
ATOM   305  C  CZ  . PHE   A 1 39  ? 2.668   -21.942 1.348   1.000 38.849  0 51  PHE   AAA CZ  1 ? 
ATOM   306  N  N   . VAL   A 1 40  ? -1.707  -24.704 -2.887  1.000 33.609  0 52  VAL   AAA N   1 ? 
ATOM   307  C  CA  . VAL   A 1 40  ? -3.015  -24.881 -3.484  1.000 34.207  0 52  VAL   AAA CA  1 ? 
ATOM   308  C  C   . VAL   A 1 40  ? -3.986  -23.981 -2.762  1.000 34.630  0 52  VAL   AAA C   1 ? 
ATOM   309  O  O   . VAL   A 1 40  ? -4.010  -23.969 -1.531  1.000 39.934  0 52  VAL   AAA O   1 ? 
ATOM   310  C  CB  . VAL   A 1 40  ? -3.478  -26.349 -3.417  1.000 34.007  0 52  VAL   AAA CB  1 ? 
ATOM   311  C  CG1 . VAL   A 1 40  ? -4.980  -26.500 -3.544  1.000 32.612  0 52  VAL   AAA CG1 1 ? 
ATOM   312  C  CG2 . VAL   A 1 40  ? -2.761  -27.170 -4.465  1.000 33.909  0 52  VAL   AAA CG2 1 ? 
ATOM   313  N  N   . LEU   A 1 41  ? -4.789  -23.264 -3.560  1.000 35.960  0 53  LEU   AAA N   1 ? 
ATOM   314  C  CA  . LEU   A 1 41  ? -5.812  -22.379 -3.040  1.000 35.981  0 53  LEU   AAA CA  1 ? 
ATOM   315  C  C   . LEU   A 1 41  ? -7.163  -23.093 -3.088  1.000 36.307  0 53  LEU   AAA C   1 ? 
ATOM   316  O  O   . LEU   A 1 41  ? -7.445  -23.858 -4.011  1.000 33.415  0 53  LEU   AAA O   1 ? 
ATOM   317  C  CB  . LEU   A 1 41  ? -5.797  -21.106 -3.894  1.000 37.841  0 53  LEU   AAA CB  1 ? 
ATOM   318  C  CG  . LEU   A 1 41  ? -6.564  -19.915 -3.342  1.000 37.478  0 53  LEU   AAA CG  1 ? 
ATOM   319  C  CD1 . LEU   A 1 41  ? -6.097  -19.565 -1.939  1.000 35.817  0 53  LEU   AAA CD1 1 ? 
ATOM   320  C  CD2 . LEU   A 1 41  ? -6.402  -18.725 -4.262  1.000 39.747  0 53  LEU   AAA CD2 1 ? 
ATOM   321  N  N   . THR   A 1 42  ? -7.971  -22.880 -2.048  1.000 36.244  0 54  THR   AAA N   1 ? 
ATOM   322  C  CA  . THR   A 1 42  ? -9.270  -23.529 -1.921  1.000 33.501  0 54  THR   AAA CA  1 ? 
ATOM   323  C  C   . THR   A 1 42  ? -10.077 -22.759 -0.886  1.000 33.465  0 54  THR   AAA C   1 ? 
ATOM   324  O  O   . THR   A 1 42  ? -9.655  -21.681 -0.457  1.000 29.790  0 54  THR   AAA O   1 ? 
ATOM   325  C  CB  . THR   A 1 42  ? -9.116  -25.001 -1.532  1.000 31.114  0 54  THR   AAA CB  1 ? 
ATOM   326  O  OG1 . THR   A 1 42  ? -10.384 -25.654 -1.601  1.000 29.883  0 54  THR   AAA OG1 1 ? 
ATOM   327  C  CG2 . THR   A 1 42  ? -8.530  -25.188 -0.148  1.000 33.143  0 54  THR   AAA CG2 1 ? 
ATOM   328  N  N   . ALA   A 1 43  ? -11.210 -23.336 -0.485  1.000 32.104  0 55  ALA   AAA N   1 ? 
ATOM   329  C  CA  . ALA   A 1 43  ? -12.129 -22.707 0.449   1.000 32.620  0 55  ALA   AAA CA  1 ? 
ATOM   330  C  C   . ALA   A 1 43  ? -11.829 -23.193 1.863   1.000 31.546  0 55  ALA   AAA C   1 ? 
ATOM   331  O  O   . ALA   A 1 43  ? -11.534 -24.352 2.061   1.000 33.265  0 55  ALA   AAA O   1 ? 
ATOM   332  C  CB  . ALA   A 1 43  ? -13.545 -23.056 0.071   1.000 33.833  0 55  ALA   AAA CB  1 ? 
ATOM   333  N  N   . ALA   A 1 44  ? -12.008 -22.316 2.850   1.000 33.286  0 56  ALA   AAA N   1 ? 
ATOM   334  C  CA  . ALA   A 1 44  ? -11.724 -22.635 4.234   1.000 33.072  0 56  ALA   AAA CA  1 ? 
ATOM   335  C  C   . ALA   A 1 44  ? -12.658 -23.727 4.761   1.000 31.851  0 56  ALA   AAA C   1 ? 
ATOM   336  O  O   . ALA   A 1 44  ? -12.253 -24.475 5.637   1.000 31.443  0 56  ALA   AAA O   1 ? 
ATOM   337  C  CB  . ALA   A 1 44  ? -11.804 -21.385 5.079   1.000 34.999  0 56  ALA   AAA CB  1 ? 
ATOM   338  N  N   . HIS   A 1 45  ? -13.898 -23.821 4.254   1.000 36.652  0 57  HIS   AAA N   1 ? 
ATOM   339  C  CA  . HIS   A 1 45  ? -14.851 -24.792 4.776   1.000 34.159  0 57  HIS   AAA CA  1 ? 
ATOM   340  C  C   . HIS   A 1 45  ? -14.418 -26.192 4.357   1.000 34.873  0 57  HIS   AAA C   1 ? 
ATOM   341  O  O   . HIS   A 1 45  ? -14.958 -27.176 4.837   1.000 36.167  0 57  HIS   AAA O   1 ? 
ATOM   342  C  CB  . HIS   A 1 45  ? -16.317 -24.483 4.417   1.000 34.304  0 57  HIS   AAA CB  1 ? 
ATOM   343  C  CG  . HIS   A 1 45  ? -16.735 -24.672 2.991   1.000 38.823  0 57  HIS   AAA CG  1 ? 
ATOM   344  N  ND1 . HIS   A 1 45  ? -16.710 -23.678 2.032   1.000 39.399  0 57  HIS   AAA ND1 1 ? 
ATOM   345  C  CD2 . HIS   A 1 45  ? -17.286 -25.752 2.391   1.000 42.908  0 57  HIS   AAA CD2 1 ? 
ATOM   346  C  CE1 . HIS   A 1 45  ? -17.153 -24.181 0.880   1.000 42.442  0 57  HIS   AAA CE1 1 ? 
ATOM   347  N  NE2 . HIS   A 1 45  ? -17.520 -25.438 1.076   1.000 39.613  0 57  HIS   AAA NE2 1 ? 
ATOM   348  N  N   . CYS   A 1 46  ? -13.413 -26.267 3.490   1.000 34.691  0 58  CYS   AAA N   1 ? 
ATOM   349  C  CA  . CYS   A 1 46  ? -12.836 -27.539 3.100   1.000 35.965  0 58  CYS   AAA CA  1 ? 
ATOM   350  C  C   . CYS   A 1 46  ? -11.741 -27.992 4.080   1.000 34.746  0 58  CYS   AAA C   1 ? 
ATOM   351  O  O   . CYS   A 1 46  ? -11.155 -29.048 3.871   1.000 36.402  0 58  CYS   AAA O   1 ? 
ATOM   352  C  CB  . CYS   A 1 46  ? -12.300 -27.418 1.673   1.000 36.233  0 58  CYS   AAA CB  1 ? 
ATOM   353  S  SG  . CYS   A 1 46  ? -13.605 -27.191 0.446   1.000 36.844  0 58  CYS   AAA SG  1 ? 
ATOM   354  N  N   . ALA   A 1 47  ? -11.475 -27.235 5.161   1.000 35.523  0 59  ALA   AAA N   1 ? 
ATOM   355  C  CA  . ALA   A 1 47  ? -10.484 -27.627 6.170   1.000 36.673  0 59  ALA   AAA CA  1 ? 
ATOM   356  C  C   . ALA   A 1 47  ? -10.872 -28.921 6.891   1.000 35.867  0 59  ALA   AAA C   1 ? 
ATOM   357  O  O   . ALA   A 1 47  ? -12.046 -29.204 7.085   1.000 35.815  0 59  ALA   AAA O   1 ? 
ATOM   358  C  CB  . ALA   A 1 47  ? -10.306 -26.539 7.204   1.000 33.625  0 59  ALA   AAA CB  1 ? 
ATOM   359  N  N   . GLY   A 1 48  ? -9.856  -29.651 7.359   1.000 34.046  0 60  GLY   AAA N   1 ? 
ATOM   360  C  CA  . GLY   A 1 48  ? -10.059 -30.815 8.195   1.000 36.644  0 60  GLY   AAA CA  1 ? 
ATOM   361  C  C   . GLY   A 1 48  ? -8.822  -31.205 9.009   1.000 36.270  0 60  GLY   AAA C   1 ? 
ATOM   362  O  O   . GLY   A 1 48  ? -7.895  -30.418 9.184   1.000 32.496  0 60  GLY   AAA O   1 ? 
ATOM   363  N  N   . ARG   A 1 49  ? -8.839  -32.440 9.527   1.000 37.036  0 61  ARG   AAA N   1 ? 
ATOM   364  C  CA  . ARG   A 1 49  ? -7.726  -32.958 10.306  1.000 39.084  0 61  ARG   AAA CA  1 ? 
ATOM   365  C  C   . ARG   A 1 49  ? -6.518  -33.197 9.399   1.000 35.594  0 61  ARG   AAA C   1 ? 
ATOM   366  O  O   . ARG   A 1 49  ? -5.398  -32.973 9.840   1.000 35.628  0 61  ARG   AAA O   1 ? 
ATOM   367  C  CB  . ARG   A 1 49  ? -8.106  -34.237 11.068  1.000 38.770  0 61  ARG   AAA CB  1 ? 
ATOM   368  C  CG  . ARG   A 1 49  ? -7.006  -34.758 11.990  1.000 40.071  0 61  ARG   AAA CG  1 ? 
ATOM   369  C  CD  . ARG   A 1 49  ? -6.591  -33.708 13.028  1.000 43.360  0 61  ARG   AAA CD  1 ? 
ATOM   370  N  NE  . ARG   A 1 49  ? -5.469  -34.185 13.823  1.000 43.871  0 61  ARG   AAA NE  1 ? 
ATOM   371  C  CZ  . ARG   A 1 49  ? -4.243  -34.428 13.351  1.000 42.910  0 61  ARG   AAA CZ  1 ? 
ATOM   372  N  NH1 . ARG   A 1 49  ? -3.872  -33.953 12.171  1.000 38.541  0 61  ARG   AAA NH1 1 ? 
ATOM   373  N  NH2 . ARG   A 1 49  ? -3.368  -35.091 14.096  1.000 38.628  0 61  ARG   AAA NH2 1 ? 
ATOM   374  N  N   . SER   A 1 50  ? -6.746  -33.721 8.187   1.000 32.859  0 63  SER   AAA N   1 ? 
ATOM   375  C  CA  . SER   A 1 50  ? -5.699  -33.828 7.177   1.000 34.917  0 63  SER   AAA CA  1 ? 
ATOM   376  C  C   . SER   A 1 50  ? -6.294  -33.830 5.769   1.000 34.091  0 63  SER   AAA C   1 ? 
ATOM   377  O  O   . SER   A 1 50  ? -7.458  -34.185 5.573   1.000 30.222  0 63  SER   AAA O   1 ? 
ATOM   378  C  CB  . SER   A 1 50  ? -4.832  -35.047 7.352   1.000 37.812  0 63  SER   AAA CB  1 ? 
ATOM   379  O  OG  . SER   A 1 50  ? -5.621  -36.209 7.181   1.000 44.437  0 63  SER   AAA OG  1 ? 
ATOM   380  N  N   . ILE   A 1 51  ? -5.437  -33.494 4.786   1.000 32.904  0 64  ILE   AAA N   1 ? 
ATOM   381  C  CA  . ILE   A 1 51  ? -5.872  -33.355 3.408   1.000 31.667  0 64  ILE   AAA CA  1 ? 
ATOM   382  C  C   . ILE   A 1 51  ? -4.818  -33.941 2.482   1.000 31.830  0 64  ILE   AAA C   1 ? 
ATOM   383  O  O   . ILE   A 1 51  ? -3.627  -33.790 2.725   1.000 32.449  0 64  ILE   AAA O   1 ? 
ATOM   384  C  CB  . ILE   A 1 51  ? -6.161  -31.880 3.079   1.000 29.861  0 64  ILE   AAA CB  1 ? 
ATOM   385  C  CG1 . ILE   A 1 51  ? -7.199  -31.298 4.049   1.000 29.206  0 64  ILE   AAA CG1 1 ? 
ATOM   386  C  CG2 . ILE   A 1 51  ? -6.558  -31.720 1.623   1.000 29.277  0 64  ILE   AAA CG2 1 ? 
ATOM   387  C  CD1 . ILE   A 1 51  ? -7.659  -29.898 3.730   1.000 29.925  0 64  ILE   AAA CD1 1 ? 
ATOM   388  N  N   . THR   A 1 52  ? -5.287  -34.651 1.452   1.000 30.109  0 65  THR   AAA N   1 ? 
ATOM   389  C  CA  . THR   A 1 52  ? -4.426  -35.147 0.394   1.000 33.694  0 65  THR   AAA CA  1 ? 
ATOM   390  C  C   . THR   A 1 52  ? -4.934  -34.524 -0.898  1.000 34.525  0 65  THR   AAA C   1 ? 
ATOM   391  O  O   . THR   A 1 52  ? -6.142  -34.449 -1.112  1.000 41.331  0 65  THR   AAA O   1 ? 
ATOM   392  C  CB  . THR   A 1 52  ? -4.456  -36.685 0.258   1.000 36.907  0 65  THR   AAA CB  1 ? 
ATOM   393  O  OG1 . THR   A 1 52  ? -4.349  -37.307 1.536   1.000 39.213  0 65  THR   AAA OG1 1 ? 
ATOM   394  C  CG2 . THR   A 1 52  ? -3.343  -37.226 -0.606  1.000 40.805  0 65  THR   AAA CG2 1 ? 
ATOM   395  N  N   . VAL   A 1 53  ? -3.998  -34.053 -1.718  1.000 34.280  0 66  VAL   AAA N   1 ? 
ATOM   396  C  CA  . VAL   A 1 53  ? -4.292  -33.391 -2.970  1.000 31.570  0 66  VAL   AAA CA  1 ? 
ATOM   397  C  C   . VAL   A 1 53  ? -3.943  -34.323 -4.126  1.000 34.317  0 66  VAL   AAA C   1 ? 
ATOM   398  O  O   . VAL   A 1 53  ? -2.873  -34.936 -4.117  1.000 31.409  0 66  VAL   AAA O   1 ? 
ATOM   399  C  CB  . VAL   A 1 53  ? -3.492  -32.086 -3.059  1.000 34.099  0 66  VAL   AAA CB  1 ? 
ATOM   400  C  CG1 . VAL   A 1 53  ? -3.661  -31.418 -4.411  1.000 38.718  0 66  VAL   AAA CG1 1 ? 
ATOM   401  C  CG2 . VAL   A 1 53  ? -3.860  -31.133 -1.933  1.000 35.454  0 66  VAL   AAA CG2 1 ? 
ATOM   402  N  N   . THR   A 1 54  ? -4.850  -34.405 -5.122  1.000 37.736  0 67  THR   AAA N   1 ? 
ATOM   403  C  CA  . THR   A 1 54  ? -4.576  -35.102 -6.370  1.000 33.983  0 67  THR   AAA CA  1 ? 
ATOM   404  C  C   . THR   A 1 54  ? -4.566  -34.092 -7.517  1.000 32.204  0 67  THR   AAA C   1 ? 
ATOM   405  O  O   . THR   A 1 54  ? -5.589  -33.466 -7.808  1.000 26.745  0 67  THR   AAA O   1 ? 
ATOM   406  C  CB  . THR   A 1 54  ? -5.560  -36.258 -6.621  1.000 36.546  0 67  THR   AAA CB  1 ? 
ATOM   407  O  OG1 . THR   A 1 54  ? -5.601  -37.142 -5.497  1.000 33.386  0 67  THR   AAA OG1 1 ? 
ATOM   408  C  CG2 . THR   A 1 54  ? -5.181  -37.061 -7.848  1.000 35.152  0 67  THR   AAA CG2 1 ? 
ATOM   409  N  N   . LEU   A 1 55  ? -3.376  -33.916 -8.128  1.000 31.825  0 68  LEU   AAA N   1 ? 
ATOM   410  C  CA  . LEU   A 1 55  ? -3.224  -33.160 -9.362  1.000 30.859  0 68  LEU   AAA CA  1 ? 
ATOM   411  C  C   . LEU   A 1 55  ? -3.108  -34.142 -10.519 1.000 31.841  0 68  LEU   AAA C   1 ? 
ATOM   412  O  O   . LEU   A 1 55  ? -2.702  -35.296 -10.325 1.000 30.588  0 68  LEU   AAA O   1 ? 
ATOM   413  C  CB  . LEU   A 1 55  ? -1.961  -32.292 -9.337  1.000 32.612  0 68  LEU   AAA CB  1 ? 
ATOM   414  C  CG  . LEU   A 1 55  ? -1.657  -31.537 -8.036  1.000 36.220  0 68  LEU   AAA CG  1 ? 
ATOM   415  C  CD1 . LEU   A 1 55  ? -0.288  -30.874 -8.108  1.000 37.583  0 68  LEU   AAA CD1 1 ? 
ATOM   416  C  CD2 . LEU   A 1 55  ? -2.703  -30.485 -7.754  1.000 34.973  0 68  LEU   AAA CD2 1 ? 
ATOM   417  N  N   . GLY   A 1 56  ? -3.374  -33.620 -11.721 1.000 32.612  0 69  GLY   AAA N   1 ? 
ATOM   418  C  CA  . GLY   A 1 56  ? -3.216  -34.383 -12.947 1.000 34.878  0 69  GLY   AAA CA  1 ? 
ATOM   419  C  C   . GLY   A 1 56  ? -4.443  -35.232 -13.273 1.000 34.530  0 69  GLY   AAA C   1 ? 
ATOM   420  O  O   . GLY   A 1 56  ? -4.403  -35.956 -14.265 1.000 33.957  0 69  GLY   AAA O   1 ? 
ATOM   421  N  N   . ALA   A 1 57  ? -5.530  -35.082 -12.484 1.000 32.664  0 70  ALA   AAA N   1 ? 
ATOM   422  C  CA  . ALA   A 1 57  ? -6.706  -35.931 -12.617 1.000 33.254  0 70  ALA   AAA CA  1 ? 
ATOM   423  C  C   . ALA   A 1 57  ? -7.679  -35.410 -13.666 1.000 35.652  0 70  ALA   AAA C   1 ? 
ATOM   424  O  O   . ALA   A 1 57  ? -7.872  -34.200 -13.815 1.000 34.894  0 70  ALA   AAA O   1 ? 
ATOM   425  C  CB  . ALA   A 1 57  ? -7.422  -36.066 -11.300 1.000 32.804  0 70  ALA   AAA CB  1 ? 
ATOM   426  N  N   . HIS   A 1 58  ? -8.335  -36.371 -14.335 1.000 37.668  0 71  HIS   AAA N   1 ? 
ATOM   427  C  CA  . HIS   A 1 58  ? -9.583  -36.132 -15.051 1.000 38.663  0 71  HIS   AAA CA  1 ? 
ATOM   428  C  C   . HIS   A 1 58  ? -10.659 -37.066 -14.512 1.000 37.457  0 71  HIS   AAA C   1 ? 
ATOM   429  O  O   . HIS   A 1 58  ? -11.541 -36.619 -13.796 1.000 40.800  0 71  HIS   AAA O   1 ? 
ATOM   430  C  CB  . HIS   A 1 58  ? -9.428  -36.307 -16.564 1.000 37.241  0 71  HIS   AAA CB  1 ? 
ATOM   431  C  CG  . HIS   A 1 58  ? -10.711 -36.097 -17.268 1.000 36.025  0 71  HIS   AAA CG  1 ? 
ATOM   432  N  ND1 . HIS   A 1 58  ? -11.367 -34.885 -17.191 1.000 38.557  0 71  HIS   AAA ND1 1 ? 
ATOM   433  C  CD2 . HIS   A 1 58  ? -11.467 -36.907 -18.024 1.000 37.876  0 71  HIS   AAA CD2 1 ? 
ATOM   434  C  CE1 . HIS   A 1 58  ? -12.497 -34.967 -17.898 1.000 41.352  0 71  HIS   AAA CE1 1 ? 
ATOM   435  N  NE2 . HIS   A 1 58  ? -12.582 -36.189 -18.406 1.000 42.213  0 71  HIS   AAA NE2 1 ? 
ATOM   436  N  N   . ASN   A 1 59  ? -10.566 -38.354 -14.877 1.000 39.571  0 72  ASN   AAA N   1 ? 
ATOM   437  C  CA  . ASN   A 1 59  ? -11.403 -39.403 -14.330 1.000 38.357  0 72  ASN   AAA CA  1 ? 
ATOM   438  C  C   . ASN   A 1 59  ? -10.815 -39.851 -12.993 1.000 38.539  0 72  ASN   AAA C   1 ? 
ATOM   439  O  O   . ASN   A 1 59  ? -9.819  -40.579 -12.926 1.000 34.404  0 72  ASN   AAA O   1 ? 
ATOM   440  C  CB  . ASN   A 1 59  ? -11.549 -40.573 -15.310 1.000 43.163  0 72  ASN   AAA CB  1 ? 
ATOM   441  C  CG  . ASN   A 1 59  ? -12.562 -41.600 -14.848 1.000 44.753  0 72  ASN   AAA CG  1 ? 
ATOM   442  O  OD1 . ASN   A 1 59  ? -12.823 -41.738 -13.649 1.000 36.957  0 72  ASN   AAA OD1 1 ? 
ATOM   443  N  ND2 . ASN   A 1 59  ? -13.156 -42.307 -15.794 1.000 55.130  0 72  ASN   AAA ND2 1 ? 
ATOM   444  N  N   . ILE   A 1 60  ? -11.479 -39.439 -11.914 1.000 38.815  0 73  ILE   AAA N   1 ? 
ATOM   445  C  CA  . ILE   A 1 60  ? -10.894 -39.548 -10.593 1.000 39.894  0 73  ILE   AAA CA  1 ? 
ATOM   446  C  C   . ILE   A 1 60  ? -10.925 -40.989 -10.057 1.000 43.421  0 73  ILE   AAA C   1 ? 
ATOM   447  O  O   . ILE   A 1 60  ? -10.353 -41.244 -8.990  1.000 42.684  0 73  ILE   AAA O   1 ? 
ATOM   448  C  CB  . ILE   A 1 60  ? -11.625 -38.560 -9.668  1.000 42.831  0 73  ILE   AAA CB  1 ? 
ATOM   449  C  CG1 . ILE   A 1 60  ? -10.722 -38.099 -8.533  1.000 39.326  0 73  ILE   AAA CG1 1 ? 
ATOM   450  C  CG2 . ILE   A 1 60  ? -12.956 -39.135 -9.180  1.000 41.631  0 73  ILE   AAA CG2 1 ? 
ATOM   451  C  CD1 . ILE   A 1 60  ? -9.457  -37.448 -9.007  1.000 38.594  0 73  ILE   AAA CD1 1 ? 
ATOM   452  N  N   . THR   A 1 61  ? -11.570 -41.942 -10.768 1.000 42.868  0 74  THR   AAA N   1 ? 
ATOM   453  C  CA  . THR   A 1 61  ? -11.598 -43.331 -10.312 1.000 44.408  0 74  THR   AAA CA  1 ? 
ATOM   454  C  C   . THR   A 1 61  ? -10.541 -44.184 -11.022 1.000 48.816  0 74  THR   AAA C   1 ? 
ATOM   455  O  O   . THR   A 1 61  ? -10.250 -45.259 -10.512 1.000 55.020  0 74  THR   AAA O   1 ? 
ATOM   456  C  CB  . THR   A 1 61  ? -12.981 -43.969 -10.487 1.000 48.540  0 74  THR   AAA CB  1 ? 
ATOM   457  O  OG1 . THR   A 1 61  ? -13.143 -44.221 -11.876 1.000 46.700  0 74  THR   AAA OG1 1 ? 
ATOM   458  C  CG2 . THR   A 1 61  ? -14.130 -43.107 -10.003 1.000 52.833  0 74  THR   AAA CG2 1 ? 
ATOM   459  N  N   . GLU   A 1 62  ? -9.978  -43.702 -12.158 1.000 50.574  0 75  GLU   AAA N   1 ? 
ATOM   460  C  CA  . GLU   A 1 62  ? -9.040  -44.418 -13.039 1.000 55.293  0 75  GLU   AAA CA  1 ? 
ATOM   461  C  C   . GLU   A 1 62  ? -7.650  -43.765 -12.894 1.000 53.964  0 75  GLU   AAA C   1 ? 
ATOM   462  O  O   . GLU   A 1 62  ? -7.395  -42.684 -13.433 1.000 51.075  0 75  GLU   AAA O   1 ? 
ATOM   463  C  CB  . GLU   A 1 62  ? -9.589  -44.444 -14.493 1.000 53.709  0 75  GLU   AAA CB  1 ? 
ATOM   464  C  CG  . GLU   A 1 62  ? -8.680  -45.064 -15.591 1.000 57.557  0 75  GLU   AAA CG  1 ? 
ATOM   465  C  CD  . GLU   A 1 62  ? -9.199  -45.270 -17.034 1.000 66.782  0 75  GLU   AAA CD  1 ? 
ATOM   466  O  OE1 . GLU   A 1 62  ? -8.970  -46.394 -17.600 1.000 59.070  0 75  GLU   AAA OE1 1 ? 
ATOM   467  O  OE2 . GLU   A 1 62  ? -9.809  -44.326 -17.646 1.000 59.281  0 75  GLU   AAA OE2 1 ? 
ATOM   468  N  N   . GLU   A 1 63  ? -6.768  -44.414 -12.117 1.000 50.430  0 77  GLU   AAA N   1 ? 
ATOM   469  C  CA  . GLU   A 1 63  ? -5.430  -43.923 -11.816 1.000 51.359  0 77  GLU   AAA CA  1 ? 
ATOM   470  C  C   . GLU   A 1 63  ? -4.544  -43.982 -13.066 1.000 47.745  0 77  GLU   AAA C   1 ? 
ATOM   471  O  O   . GLU   A 1 63  ? -4.528  -44.993 -13.766 1.000 44.284  0 77  GLU   AAA O   1 ? 
ATOM   472  C  CB  . GLU   A 1 63  ? -4.749  -44.756 -10.722 1.000 50.193  0 77  GLU   AAA CB  1 ? 
ATOM   473  C  CG  . GLU   A 1 63  ? -3.541  -44.036 -10.118 1.000 57.970  0 77  GLU   AAA CG  1 ? 
ATOM   474  C  CD  . GLU   A 1 63  ? -2.326  -44.880 -9.753  1.000 63.713  0 77  GLU   AAA CD  1 ? 
ATOM   475  O  OE1 . GLU   A 1 63  ? -2.297  -46.084 -10.093 1.000 66.566  0 77  GLU   AAA OE1 1 ? 
ATOM   476  O  OE2 . GLU   A 1 63  ? -1.399  -44.323 -9.134  1.000 59.418  0 77  GLU   AAA OE2 1 ? 
ATOM   477  N  N   . GLU   A 1 64  ? -3.800  -42.895 -13.314 1.000 37.565  0 78  GLU   AAA N   1 ? 
ATOM   478  C  CA  . GLU   A 1 64  ? -2.975  -42.753 -14.508 1.000 37.420  0 78  GLU   AAA CA  1 ? 
ATOM   479  C  C   . GLU   A 1 64  ? -1.653  -42.048 -14.167 1.000 31.572  0 78  GLU   AAA C   1 ? 
ATOM   480  O  O   . GLU   A 1 64  ? -1.463  -41.516 -13.080 1.000 27.040  0 78  GLU   AAA O   1 ? 
ATOM   481  C  CB  . GLU   A 1 64  ? -3.784  -42.024 -15.600 1.000 36.989  0 78  GLU   AAA CB  1 ? 
ATOM   482  C  CG  . GLU   A 1 64  ? -4.568  -40.795 -15.121 1.000 36.523  0 78  GLU   AAA CG  1 ? 
ATOM   483  C  CD  . GLU   A 1 64  ? -5.135  -39.899 -16.224 1.000 38.797  0 78  GLU   AAA CD  1 ? 
ATOM   484  O  OE1 . GLU   A 1 64  ? -6.115  -39.165 -15.955 1.000 37.794  0 78  GLU   AAA OE1 1 ? 
ATOM   485  O  OE2 . GLU   A 1 64  ? -4.591  -39.917 -17.350 1.000 34.223  0 78  GLU   AAA OE2 1 ? 
ATOM   486  N  N   . ASP   A 1 65  ? -0.750  -42.019 -15.142 1.000 32.185  0 79  ASP   AAA N   1 ? 
ATOM   487  C  CA  . ASP   A 1 65  ? 0.583   -41.495 -14.951 1.000 35.241  0 79  ASP   AAA CA  1 ? 
ATOM   488  C  C   . ASP   A 1 65  ? 0.554   -39.993 -14.673 1.000 33.580  0 79  ASP   AAA C   1 ? 
ATOM   489  O  O   . ASP   A 1 65  ? 1.434   -39.487 -13.994 1.000 33.143  0 79  ASP   AAA O   1 ? 
ATOM   490  C  CB  . ASP   A 1 65  ? 1.451   -41.818 -16.161 1.000 40.747  0 79  ASP   AAA CB  1 ? 
ATOM   491  C  CG  . ASP   A 1 65  ? 1.998   -43.233 -16.154 1.000 42.029  0 79  ASP   AAA CG  1 ? 
ATOM   492  O  OD1 . ASP   A 1 65  ? 1.693   -43.989 -15.203 1.000 38.157  0 79  ASP   AAA OD1 1 ? 
ATOM   493  O  OD2 . ASP   A 1 65  ? 2.735   -43.555 -17.101 1.000 38.302  0 79  ASP   AAA OD2 1 ? 
ATOM   494  N  N   . THR   A 1 66  A -0.445  -39.281 -15.192 1.000 35.933  0 79  THR   AAA N   1 ? 
ATOM   495  C  CA  . THR   A 1 66  A -0.573  -37.862 -14.899 1.000 33.928  0 79  THR   AAA CA  1 ? 
ATOM   496  C  C   . THR   A 1 66  A -0.773  -37.593 -13.403 1.000 35.196  0 79  THR   AAA C   1 ? 
ATOM   497  O  O   . THR   A 1 66  A -0.493  -36.487 -12.975 1.000 33.470  0 79  THR   AAA O   1 ? 
ATOM   498  C  CB  . THR   A 1 66  A -1.743  -37.238 -15.649 1.000 30.846  0 79  THR   AAA CB  1 ? 
ATOM   499  O  OG1 . THR   A 1 66  A -2.938  -37.893 -15.226 1.000 29.756  0 79  THR   AAA OG1 1 ? 
ATOM   500  C  CG2 . THR   A 1 66  A -1.587  -37.314 -17.146 1.000 30.856  0 79  THR   AAA CG2 1 ? 
ATOM   501  N  N   . TRP   A 1 67  ? -1.260  -38.570 -12.613 1.000 37.699  0 80  TRP   AAA N   1 ? 
ATOM   502  C  CA  . TRP   A 1 67  ? -1.633  -38.307 -11.221 1.000 33.375  0 80  TRP   AAA CA  1 ? 
ATOM   503  C  C   . TRP   A 1 67  ? -0.401  -37.939 -10.413 1.000 32.017  0 80  TRP   AAA C   1 ? 
ATOM   504  O  O   . TRP   A 1 67  ? 0.636   -38.587 -10.519 1.000 27.774  0 80  TRP   AAA O   1 ? 
ATOM   505  C  CB  . TRP   A 1 67  ? -2.356  -39.487 -10.544 1.000 32.028  0 80  TRP   AAA CB  1 ? 
ATOM   506  C  CG  . TRP   A 1 67  ? -3.802  -39.663 -10.892 1.000 33.733  0 80  TRP   AAA CG  1 ? 
ATOM   507  C  CD1 . TRP   A 1 67  ? -4.451  -39.138 -11.967 1.000 36.383  0 80  TRP   AAA CD1 1 ? 
ATOM   508  C  CD2 . TRP   A 1 67  ? -4.791  -40.426 -10.162 1.000 37.381  0 80  TRP   AAA CD2 1 ? 
ATOM   509  N  NE1 . TRP   A 1 67  ? -5.749  -39.575 -11.993 1.000 39.189  0 80  TRP   AAA NE1 1 ? 
ATOM   510  C  CE2 . TRP   A 1 67  ? -5.990  -40.355 -10.892 1.000 35.596  0 80  TRP   AAA CE2 1 ? 
ATOM   511  C  CE3 . TRP   A 1 67  ? -4.779  -41.195 -8.985  1.000 42.858  0 80  TRP   AAA CE3 1 ? 
ATOM   512  C  CZ2 . TRP   A 1 67  ? -7.163  -40.977 -10.463 1.000 36.357  0 80  TRP   AAA CZ2 1 ? 
ATOM   513  C  CZ3 . TRP   A 1 67  ? -5.928  -41.848 -8.580  1.000 38.381  0 80  TRP   AAA CZ3 1 ? 
ATOM   514  C  CH2 . TRP   A 1 67  ? -7.108  -41.720 -9.304  1.000 38.510  0 80  TRP   AAA CH2 1 ? 
ATOM   515  N  N   . GLN   A 1 68  ? -0.529  -36.886 -9.605  1.000 32.907  0 81  GLN   AAA N   1 ? 
ATOM   516  C  CA  . GLN   A 1 68  ? 0.404   -36.670 -8.501  1.000 33.012  0 81  GLN   AAA CA  1 ? 
ATOM   517  C  C   . GLN   A 1 68  ? -0.441  -36.546 -7.236  1.000 33.765  0 81  GLN   AAA C   1 ? 
ATOM   518  O  O   . GLN   A 1 68  ? -1.303  -35.666 -7.164  1.000 32.662  0 81  GLN   AAA O   1 ? 
ATOM   519  C  CB  . GLN   A 1 68  ? 1.272   -35.441 -8.728  1.000 31.638  0 81  GLN   AAA CB  1 ? 
ATOM   520  C  CG  . GLN   A 1 68  ? 2.253   -35.542 -9.907  1.000 31.630  0 81  GLN   AAA CG  1 ? 
ATOM   521  C  CD  . GLN   A 1 68  ? 3.004   -34.234 -10.085 1.000 32.612  0 81  GLN   AAA CD  1 ? 
ATOM   522  O  OE1 . GLN   A 1 68  ? 3.626   -33.715 -9.153  1.000 29.267  0 81  GLN   AAA OE1 1 ? 
ATOM   523  N  NE2 . GLN   A 1 68  ? 2.904   -33.638 -11.266 1.000 34.354  0 81  GLN   AAA NE2 1 ? 
ATOM   524  N  N   . LYS   A 1 69  ? -0.306  -37.524 -6.333  1.000 33.346  0 82  LYS   AAA N   1 ? 
ATOM   525  C  CA  . LYS   A 1 69  ? -1.005  -37.500 -5.056  1.000 41.513  0 82  LYS   AAA CA  1 ? 
ATOM   526  C  C   . LYS   A 1 69  ? -0.060  -36.907 -4.023  1.000 37.844  0 82  LYS   AAA C   1 ? 
ATOM   527  O  O   . LYS   A 1 69  ? 1.015   -37.444 -3.812  1.000 39.926  0 82  LYS   AAA O   1 ? 
ATOM   528  C  CB  . LYS   A 1 69  ? -1.453  -38.884 -4.565  1.000 46.927  0 82  LYS   AAA CB  1 ? 
ATOM   529  C  CG  . LYS   A 1 69  ? -2.287  -39.699 -5.543  1.000 52.785  0 82  LYS   AAA CG  1 ? 
ATOM   530  C  CD  . LYS   A 1 69  ? -3.283  -40.658 -4.884  1.000 63.252  0 82  LYS   AAA CD  1 ? 
ATOM   531  C  CE  . LYS   A 1 69  ? -4.586  -39.964 -4.508  1.000 74.267  0 82  LYS   AAA CE  1 ? 
ATOM   532  N  NZ  . LYS   A 1 69  ? -5.735  -40.889 -4.333  1.000 76.062  0 82  LYS   AAA NZ  1 ? 
ATOM   533  N  N   . LEU   A 1 70  ? -0.438  -35.785 -3.418  1.000 35.141  0 83  LEU   AAA N   1 ? 
ATOM   534  C  CA  . LEU   A 1 70  ? 0.540   -35.035 -2.650  1.000 35.265  0 83  LEU   AAA CA  1 ? 
ATOM   535  C  C   . LEU   A 1 70  ? 0.010   -34.804 -1.243  1.000 33.549  0 83  LEU   AAA C   1 ? 
ATOM   536  O  O   . LEU   A 1 70  ? -1.167  -34.506 -1.036  1.000 35.283  0 83  LEU   AAA O   1 ? 
ATOM   537  C  CB  . LEU   A 1 70  ? 0.834   -33.723 -3.389  1.000 39.049  0 83  LEU   AAA CB  1 ? 
ATOM   538  C  CG  . LEU   A 1 70  ? 1.709   -33.879 -4.637  1.000 43.160  0 83  LEU   AAA CG  1 ? 
ATOM   539  C  CD1 . LEU   A 1 70  ? 1.499   -32.732 -5.608  1.000 47.029  0 83  LEU   AAA CD1 1 ? 
ATOM   540  C  CD2 . LEU   A 1 70  ? 3.187   -33.977 -4.253  1.000 42.724  0 83  LEU   AAA CD2 1 ? 
ATOM   541  N  N   . GLU   A 1 71  ? 0.916   -34.980 -0.293  1.000 32.736  0 84  GLU   AAA N   1 ? 
ATOM   542  C  CA  . GLU   A 1 71  ? 0.667   -34.706 1.108   1.000 35.488  0 84  GLU   AAA CA  1 ? 
ATOM   543  C  C   . GLU   A 1 71  ? 0.562   -33.198 1.322   1.000 37.076  0 84  GLU   AAA C   1 ? 
ATOM   544  O  O   . GLU   A 1 71  ? 1.343   -32.441 0.745   1.000 34.165  0 84  GLU   AAA O   1 ? 
ATOM   545  C  CB  . GLU   A 1 71  ? 1.829   -35.288 1.920   1.000 32.628  0 84  GLU   AAA CB  1 ? 
ATOM   546  C  CG  . GLU   A 1 71  ? 1.811   -34.941 3.388   1.000 35.552  0 84  GLU   AAA CG  1 ? 
ATOM   547  C  CD  . GLU   A 1 71  ? 3.063   -35.372 4.139   1.000 35.360  0 84  GLU   AAA CD  1 ? 
ATOM   548  O  OE1 . GLU   A 1 71  ? 3.887   -36.087 3.566   1.000 40.955  0 84  GLU   AAA OE1 1 ? 
ATOM   549  O  OE2 . GLU   A 1 71  ? 3.212   -34.982 5.303   1.000 33.636  0 84  GLU   AAA OE2 1 ? 
ATOM   550  N  N   . VAL   A 1 72  ? -0.379  -32.806 2.197   1.000 34.128  0 85  VAL   AAA N   1 ? 
ATOM   551  C  CA  . VAL   A 1 72  ? -0.487  -31.466 2.724   1.000 33.149  0 85  VAL   AAA CA  1 ? 
ATOM   552  C  C   . VAL   A 1 72  ? 0.181   -31.402 4.092   1.000 34.062  0 85  VAL   AAA C   1 ? 
ATOM   553  O  O   . VAL   A 1 72  ? -0.246  -32.115 5.001   1.000 35.886  0 85  VAL   AAA O   1 ? 
ATOM   554  C  CB  . VAL   A 1 72  ? -1.961  -31.029 2.846   1.000 35.594  0 85  VAL   AAA CB  1 ? 
ATOM   555  C  CG1 . VAL   A 1 72  ? -2.075  -29.664 3.548   1.000 33.583  0 85  VAL   AAA CG1 1 ? 
ATOM   556  C  CG2 . VAL   A 1 72  ? -2.644  -31.013 1.481   1.000 33.772  0 85  VAL   AAA CG2 1 ? 
ATOM   557  N  N   . ILE   A 1 73  ? 1.179   -30.508 4.253   1.000 34.994  0 86  ILE   AAA N   1 ? 
ATOM   558  C  CA  A ILE   A 1 73  ? 1.890   -30.444 5.523   0.500 36.733  0 86  ILE   AAA CA  1 ? 
ATOM   559  C  CA  B ILE   A 1 73  ? 1.946   -30.376 5.489   0.500 37.741  0 86  ILE   AAA CA  1 ? 
ATOM   560  C  C   . ILE   A 1 73  ? 1.233   -29.432 6.457   1.000 36.107  0 86  ILE   AAA C   1 ? 
ATOM   561  O  O   . ILE   A 1 73  ? 1.265   -29.646 7.659   1.000 42.721  0 86  ILE   AAA O   1 ? 
ATOM   562  C  CB  A ILE   A 1 73  ? 3.408   -30.221 5.361   0.500 35.823  0 86  ILE   AAA CB  1 ? 
ATOM   563  C  CB  B ILE   A 1 73  ? 3.393   -29.901 5.215   0.500 38.613  0 86  ILE   AAA CB  1 ? 
ATOM   564  C  CG1 A ILE   A 1 73  ? 3.768   -28.844 4.794   0.500 35.591  0 86  ILE   AAA CG1 1 ? 
ATOM   565  C  CG1 B ILE   A 1 73  ? 4.291   -30.076 6.442   0.500 42.237  0 86  ILE   AAA CG1 1 ? 
ATOM   566  C  CG2 A ILE   A 1 73  ? 4.015   -31.353 4.544   0.500 36.007  0 86  ILE   AAA CG2 1 ? 
ATOM   567  C  CG2 B ILE   A 1 73  ? 3.449   -28.466 4.703   0.500 37.486  0 86  ILE   AAA CG2 1 ? 
ATOM   568  C  CD1 A ILE   A 1 73  ? 5.263   -28.618 4.692   0.500 36.431  0 86  ILE   AAA CD1 1 ? 
ATOM   569  C  CD1 B ILE   A 1 73  ? 5.615   -29.343 6.350   0.500 43.876  0 86  ILE   AAA CD1 1 ? 
ATOM   570  N  N   . LYS   A 1 74  ? 0.606   -28.372 5.920   1.000 39.418  0 87  LYS   AAA N   1 ? 
ATOM   571  C  CA  . LYS   A 1 74  ? -0.011  -27.332 6.747   1.000 46.645  0 87  LYS   AAA CA  1 ? 
ATOM   572  C  C   . LYS   A 1 74  ? -1.181  -26.668 6.005   1.000 40.302  0 87  LYS   AAA C   1 ? 
ATOM   573  O  O   . LYS   A 1 74  ? -1.147  -26.439 4.794   1.000 32.146  0 87  LYS   AAA O   1 ? 
ATOM   574  C  CB  . LYS   A 1 74  ? 1.028   -26.273 7.142   1.000 51.443  0 87  LYS   AAA CB  1 ? 
ATOM   575  C  CG  . LYS   A 1 74  ? 1.026   -25.830 8.601   1.000 65.332  0 87  LYS   AAA CG  1 ? 
ATOM   576  C  CD  . LYS   A 1 74  ? 2.255   -24.982 8.965   1.000 73.443  0 87  LYS   AAA CD  1 ? 
ATOM   577  C  CE  . LYS   A 1 74  ? 2.265   -24.396 10.366  1.000 74.512  0 87  LYS   AAA CE  1 ? 
ATOM   578  N  NZ  . LYS   A 1 74  ? 1.208   -23.375 10.550  1.000 77.957  0 87  LYS   AAA NZ  1 ? 
ATOM   579  N  N   . GLN   A 1 75  ? -2.234  -26.371 6.772   1.000 41.189  0 88  GLN   AAA N   1 ? 
ATOM   580  C  CA  . GLN   A 1 75  ? -3.417  -25.689 6.288   1.000 37.339  0 88  GLN   AAA CA  1 ? 
ATOM   581  C  C   . GLN   A 1 75  ? -3.399  -24.274 6.836   1.000 34.246  0 88  GLN   AAA C   1 ? 
ATOM   582  O  O   . GLN   A 1 75  ? -3.157  -24.073 8.022   1.000 36.820  0 88  GLN   AAA O   1 ? 
ATOM   583  C  CB  . GLN   A 1 75  ? -4.672  -26.399 6.779   1.000 35.225  0 88  GLN   AAA CB  1 ? 
ATOM   584  C  CG  . GLN   A 1 75  ? -4.726  -27.867 6.395   1.000 37.289  0 88  GLN   AAA CG  1 ? 
ATOM   585  C  CD  . GLN   A 1 75  ? -5.921  -28.565 7.003   1.000 36.831  0 88  GLN   AAA CD  1 ? 
ATOM   586  O  OE1 . GLN   A 1 75  ? -7.049  -28.059 6.949   1.000 35.667  0 88  GLN   AAA OE1 1 ? 
ATOM   587  N  NE2 . GLN   A 1 75  ? -5.666  -29.723 7.603   1.000 32.514  0 88  GLN   AAA NE2 1 ? 
ATOM   588  N  N   . PHE   A 1 76  ? -3.639  -23.303 5.967   1.000 33.093  0 89  PHE   AAA N   1 ? 
ATOM   589  C  CA  . PHE   A 1 76  ? -3.722  -21.926 6.411   1.000 34.652  0 89  PHE   AAA CA  1 ? 
ATOM   590  C  C   . PHE   A 1 76  ? -5.090  -21.358 6.085   1.000 37.673  0 89  PHE   AAA C   1 ? 
ATOM   591  O  O   . PHE   A 1 76  ? -5.319  -20.898 4.962   1.000 40.647  0 89  PHE   AAA O   1 ? 
ATOM   592  C  CB  . PHE   A 1 76  ? -2.656  -21.082 5.719   1.000 33.680  0 89  PHE   AAA CB  1 ? 
ATOM   593  C  CG  . PHE   A 1 76  ? -1.240  -21.474 6.021   1.000 37.755  0 89  PHE   AAA CG  1 ? 
ATOM   594  C  CD1 . PHE   A 1 76  ? -0.591  -22.408 5.230   1.000 37.778  0 89  PHE   AAA CD1 1 ? 
ATOM   595  C  CD2 . PHE   A 1 76  ? -0.557  -20.896 7.080   1.000 39.049  0 89  PHE   AAA CD2 1 ? 
ATOM   596  C  CE1 . PHE   A 1 76  ? 0.735   -22.728 5.459   1.000 39.281  0 89  PHE   AAA CE1 1 ? 
ATOM   597  C  CE2 . PHE   A 1 76  ? 0.771   -21.207 7.309   1.000 41.658  0 89  PHE   AAA CE2 1 ? 
ATOM   598  C  CZ  . PHE   A 1 76  ? 1.415   -22.128 6.499   1.000 43.458  0 89  PHE   AAA CZ  1 ? 
ATOM   599  N  N   . ARG   A 1 77  ? -5.987  -21.427 7.067   1.000 43.384  0 90  ARG   AAA N   1 ? 
ATOM   600  C  CA  . ARG   A 1 77  ? -7.321  -20.868 6.946   1.000 42.445  0 90  ARG   AAA CA  1 ? 
ATOM   601  C  C   . ARG   A 1 77  ? -7.194  -19.383 7.234   1.000 40.439  0 90  ARG   AAA C   1 ? 
ATOM   602  O  O   . ARG   A 1 77  ? -6.493  -19.011 8.167   1.000 39.218  0 90  ARG   AAA O   1 ? 
ATOM   603  C  CB  . ARG   A 1 77  ? -8.305  -21.420 7.983   1.000 46.169  0 90  ARG   AAA CB  1 ? 
ATOM   604  C  CG  . ARG   A 1 77  ? -8.796  -22.847 7.779   1.000 50.517  0 90  ARG   AAA CG  1 ? 
ATOM   605  C  CD  . ARG   A 1 77  ? -10.037 -23.149 8.626   1.000 52.117  0 90  ARG   AAA CD  1 ? 
ATOM   606  N  NE  . ARG   A 1 77  ? -9.845  -22.918 10.062  1.000 53.925  0 90  ARG   AAA NE  1 ? 
ATOM   607  C  CZ  . ARG   A 1 77  ? -10.729 -23.188 11.035  1.000 56.359  0 90  ARG   AAA CZ  1 ? 
ATOM   608  N  NH1 . ARG   A 1 77  ? -11.891 -23.774 10.775  1.000 51.327  0 90  ARG   AAA NH1 1 ? 
ATOM   609  N  NH2 . ARG   A 1 77  ? -10.423 -22.896 12.292  1.000 51.896  0 90  ARG   AAA NH2 1 ? 
ATOM   610  N  N   . HIS   A 1 78  ? -7.889  -18.557 6.448   1.000 39.652  0 91  HIS   AAA N   1 ? 
ATOM   611  C  CA  . HIS   A 1 78  ? -7.988  -17.145 6.745   1.000 40.936  0 91  HIS   AAA CA  1 ? 
ATOM   612  C  C   . HIS   A 1 78  ? -8.258  -16.978 8.235   1.000 41.234  0 91  HIS   AAA C   1 ? 
ATOM   613  O  O   . HIS   A 1 78  ? -9.120  -17.647 8.785   1.000 41.087  0 91  HIS   AAA O   1 ? 
ATOM   614  C  CB  . HIS   A 1 78  ? -9.098  -16.474 5.941   1.000 39.099  0 91  HIS   AAA CB  1 ? 
ATOM   615  C  CG  . HIS   A 1 78  ? -8.889  -15.003 5.845   1.000 42.295  0 91  HIS   AAA CG  1 ? 
ATOM   616  N  ND1 . HIS   A 1 78  ? -9.438  -14.107 6.734   1.000 44.519  0 91  HIS   AAA ND1 1 ? 
ATOM   617  C  CD2 . HIS   A 1 78  ? -8.152  -14.269 4.986   1.000 42.531  0 91  HIS   AAA CD2 1 ? 
ATOM   618  C  CE1 . HIS   A 1 78  ? -9.073  -12.868 6.387   1.000 42.571  0 91  HIS   AAA CE1 1 ? 
ATOM   619  N  NE2 . HIS   A 1 78  ? -8.286  -12.942 5.336   1.000 39.107  0 91  HIS   AAA NE2 1 ? 
ATOM   620  N  N   . PRO   A 1 79  ? -7.525  -16.103 8.946   1.000 46.274  0 92  PRO   AAA N   1 ? 
ATOM   621  C  CA  . PRO   A 1 79  ? -7.736  -15.949 10.391  1.000 49.845  0 92  PRO   AAA CA  1 ? 
ATOM   622  C  C   . PRO   A 1 79  ? -9.101  -15.371 10.773  1.000 48.156  0 92  PRO   AAA C   1 ? 
ATOM   623  O  O   . PRO   A 1 79  ? -9.449  -15.373 11.942  1.000 46.269  0 92  PRO   AAA O   1 ? 
ATOM   624  C  CB  . PRO   A 1 79  ? -6.567  -15.066 10.877  1.000 45.987  0 92  PRO   AAA CB  1 ? 
ATOM   625  C  CG  . PRO   A 1 79  ? -6.052  -14.372 9.617   1.000 48.880  0 92  PRO   AAA CG  1 ? 
ATOM   626  C  CD  . PRO   A 1 79  ? -6.420  -15.273 8.440   1.000 48.924  0 92  PRO   AAA CD  1 ? 
ATOM   627  N  N   . LYS   A 1 80  ? -9.914  -14.953 9.796   1.000 52.556  0 93  LYS   AAA N   1 ? 
ATOM   628  C  CA  . LYS   A 1 80  ? -11.201 -14.358 10.121  1.000 55.243  0 93  LYS   AAA CA  1 ? 
ATOM   629  C  C   . LYS   A 1 80  ? -12.337 -15.189 9.531   1.000 48.435  0 93  LYS   AAA C   1 ? 
ATOM   630  O  O   . LYS   A 1 80  ? -13.488 -14.765 9.589   1.000 44.669  0 93  LYS   AAA O   1 ? 
ATOM   631  C  CB  . LYS   A 1 80  ? -11.201 -12.887 9.690   1.000 59.712  0 93  LYS   AAA CB  1 ? 
ATOM   632  C  CG  . LYS   A 1 80  ? -10.216 -12.013 10.464  1.000 70.493  0 93  LYS   AAA CG  1 ? 
ATOM   633  C  CD  . LYS   A 1 80  ? -9.708  -10.799 9.702   1.000 81.597  0 93  LYS   AAA CD  1 ? 
ATOM   634  C  CE  . LYS   A 1 80  ? -10.804 -9.818  9.329   1.000 88.937  0 93  LYS   AAA CE  1 ? 
ATOM   635  N  NZ  . LYS   A 1 80  ? -10.347 -8.853  8.299   1.000 95.238  0 93  LYS   AAA NZ  1 ? 
ATOM   636  N  N   . TYR   A 1 81  ? -12.012 -16.382 9.009   1.000 45.069  0 94  TYR   AAA N   1 ? 
ATOM   637  C  CA  . TYR   A 1 81  ? -13.012 -17.330 8.525   1.000 40.668  0 94  TYR   AAA CA  1 ? 
ATOM   638  C  C   . TYR   A 1 81  ? -14.103 -17.554 9.578   1.000 39.499  0 94  TYR   AAA C   1 ? 
ATOM   639  O  O   . TYR   A 1 81  ? -13.820 -17.844 10.746  1.000 43.000  0 94  TYR   AAA O   1 ? 
ATOM   640  C  CB  . TYR   A 1 81  ? -12.346 -18.663 8.187   1.000 37.702  0 94  TYR   AAA CB  1 ? 
ATOM   641  C  CG  . TYR   A 1 81  ? -13.311 -19.776 7.856   1.000 38.707  0 94  TYR   AAA CG  1 ? 
ATOM   642  C  CD1 . TYR   A 1 81  ? -14.272 -19.637 6.860   1.000 36.094  0 94  TYR   AAA CD1 1 ? 
ATOM   643  C  CD2 . TYR   A 1 81  ? -13.275 -20.976 8.550   1.000 39.599  0 94  TYR   AAA CD2 1 ? 
ATOM   644  C  CE1 . TYR   A 1 81  ? -15.177 -20.650 6.577   1.000 39.170  0 94  TYR   AAA CE1 1 ? 
ATOM   645  C  CE2 . TYR   A 1 81  ? -14.179 -21.998 8.280   1.000 39.489  0 94  TYR   AAA CE2 1 ? 
ATOM   646  C  CZ  . TYR   A 1 81  ? -15.109 -21.852 7.263   1.000 38.307  0 94  TYR   AAA CZ  1 ? 
ATOM   647  O  OH  . TYR   A 1 81  ? -15.975 -22.894 7.012   1.000 39.278  0 94  TYR   AAA OH  1 ? 
ATOM   648  N  N   . ASN   A 1 82  ? -15.360 -17.441 9.157   1.000 36.249  0 95  ASN   AAA N   1 ? 
ATOM   649  C  CA  . ASN   A 1 82  ? -16.485 -17.609 10.059  1.000 39.789  0 95  ASN   AAA CA  1 ? 
ATOM   650  C  C   . ASN   A 1 82  ? -17.329 -18.766 9.541   1.000 40.921  0 95  ASN   AAA C   1 ? 
ATOM   651  O  O   . ASN   A 1 82  ? -17.828 -18.714 8.419   1.000 39.599  0 95  ASN   AAA O   1 ? 
ATOM   652  C  CB  . ASN   A 1 82  ? -17.249 -16.286 10.196  1.000 44.187  0 95  ASN   AAA CB  1 ? 
ATOM   653  C  CG  . ASN   A 1 82  ? -18.360 -16.335 11.216  1.000 45.598  0 95  ASN   AAA CG  1 ? 
ATOM   654  O  OD1 . ASN   A 1 82  ? -19.295 -17.119 11.083  1.000 46.661  0 95  ASN   AAA OD1 1 ? 
ATOM   655  N  ND2 . ASN   A 1 82  ? -18.262 -15.495 12.234  1.000 55.180  0 95  ASN   AAA ND2 1 ? 
ATOM   656  N  N   . THR   A 1 83  ? -17.514 -19.788 10.382  1.000 46.492  0 96  THR   AAA N   1 ? 
ATOM   657  C  CA  . THR   A 1 83  ? -18.143 -21.033 9.964   1.000 47.279  0 96  THR   AAA CA  1 ? 
ATOM   658  C  C   . THR   A 1 83  ? -19.656 -20.871 9.800   1.000 45.111  0 96  THR   AAA C   1 ? 
ATOM   659  O  O   . THR   A 1 83  ? -20.290 -21.747 9.222   1.000 48.140  0 96  THR   AAA O   1 ? 
ATOM   660  C  CB  . THR   A 1 83  ? -17.881 -22.189 10.948  1.000 44.203  0 96  THR   AAA CB  1 ? 
ATOM   661  O  OG1 . THR   A 1 83  ? -18.510 -21.867 12.184  1.000 48.277  0 96  THR   AAA OG1 1 ? 
ATOM   662  C  CG2 . THR   A 1 83  ? -16.423 -22.457 11.225  1.000 44.711  0 96  THR   AAA CG2 1 ? 
ATOM   663  N  N   . SER   A 1 84  ? -20.253 -19.802 10.343  1.000 47.600  0 97  SER   AAA N   1 ? 
ATOM   664  C  CA  . SER   A 1 84  ? -21.688 -19.567 10.187  1.000 47.095  0 97  SER   AAA CA  1 ? 
ATOM   665  C  C   . SER   A 1 84  ? -22.019 -18.767 8.925   1.000 43.158  0 97  SER   AAA C   1 ? 
ATOM   666  O  O   . SER   A 1 84  ? -22.951 -19.138 8.226   1.000 39.444  0 97  SER   AAA O   1 ? 
ATOM   667  C  CB  . SER   A 1 84  ? -22.246 -18.901 11.391  1.000 53.470  0 97  SER   AAA CB  1 ? 
ATOM   668  O  OG  . SER   A 1 84  ? -22.165 -19.777 12.499  1.000 62.479  0 97  SER   AAA OG  1 ? 
ATOM   669  N  N   . THR   A 1 85  ? -21.245 -17.699 8.640   1.000 45.171  0 98  THR   AAA N   1 ? 
ATOM   670  C  CA  . THR   A 1 85  ? -21.506 -16.762 7.545   1.000 38.389  0 98  THR   AAA CA  1 ? 
ATOM   671  C  C   . THR   A 1 85  ? -20.775 -17.183 6.273   1.000 38.168  0 98  THR   AAA C   1 ? 
ATOM   672  O  O   . THR   A 1 85  ? -21.070 -16.682 5.187   1.000 41.289  0 98  THR   AAA O   1 ? 
ATOM   673  C  CB  . THR   A 1 85  ? -21.025 -15.356 7.915   1.000 38.144  0 98  THR   AAA CB  1 ? 
ATOM   674  O  OG1 . THR   A 1 85  ? -19.634 -15.347 8.267   1.000 39.415  0 98  THR   AAA OG1 1 ? 
ATOM   675  C  CG2 . THR   A 1 85  ? -21.753 -14.798 9.116   1.000 44.145  0 98  THR   AAA CG2 1 ? 
ATOM   676  N  N   . LEU   A 1 86  ? -19.763 -18.039 6.451   1.000 36.015  0 99  LEU   AAA N   1 ? 
ATOM   677  C  CA  . LEU   A 1 86  ? -18.733 -18.329 5.465   1.000 34.430  0 99  LEU   AAA CA  1 ? 
ATOM   678  C  C   . LEU   A 1 86  ? -18.079 -17.045 4.947   1.000 34.846  0 99  LEU   AAA C   1 ? 
ATOM   679  O  O   . LEU   A 1 86  ? -17.553 -17.002 3.828   1.000 34.112  0 99  LEU   AAA O   1 ? 
ATOM   680  C  CB  . LEU   A 1 86  ? -19.326 -19.177 4.340   1.000 37.883  0 99  LEU   AAA CB  1 ? 
ATOM   681  C  CG  . LEU   A 1 86  ? -19.403 -20.675 4.612   1.000 42.926  0 99  LEU   AAA CG  1 ? 
ATOM   682  C  CD1 . LEU   A 1 86  ? -19.889 -20.952 6.017   1.000 48.724  0 99  LEU   AAA CD1 1 ? 
ATOM   683  C  CD2 . LEU   A 1 86  ? -20.332 -21.351 3.599   1.000 44.387  0 99  LEU   AAA CD2 1 ? 
ATOM   684  N  N   . HIS   A 1 87  ? -18.045 -16.000 5.774   1.000 33.991  0 100 HIS   AAA N   1 ? 
ATOM   685  C  CA  . HIS   A 1 87  ? -17.177 -14.873 5.463   1.000 38.634  0 100 HIS   AAA CA  1 ? 
ATOM   686  C  C   . HIS   A 1 87  ? -15.723 -15.350 5.357   1.000 36.931  0 100 HIS   AAA C   1 ? 
ATOM   687  O  O   . HIS   A 1 87  ? -15.270 -16.165 6.155   1.000 32.359  0 100 HIS   AAA O   1 ? 
ATOM   688  C  CB  . HIS   A 1 87  ? -17.356 -13.756 6.494   1.000 40.502  0 100 HIS   AAA CB  1 ? 
ATOM   689  C  CG  . HIS   A 1 87  ? -18.514 -12.855 6.220   1.000 45.527  0 100 HIS   AAA CG  1 ? 
ATOM   690  N  ND1 . HIS   A 1 87  ? -18.657 -11.630 6.830   1.000 49.109  0 100 HIS   AAA ND1 1 ? 
ATOM   691  C  CD2 . HIS   A 1 87  ? -19.543 -12.971 5.377   1.000 48.011  0 100 HIS   AAA CD2 1 ? 
ATOM   692  C  CE1 . HIS   A 1 87  ? -19.766 -11.054 6.388   1.000 51.872  0 100 HIS   AAA CE1 1 ? 
ATOM   693  N  NE2 . HIS   A 1 87  ? -20.306 -11.849 5.488   1.000 50.377  0 100 HIS   AAA NE2 1 ? 
ATOM   694  N  N   . HIS   A 1 88  ? -15.001 -14.861 4.341   1.000 37.555  0 101 HIS   AAA N   1 ? 
ATOM   695  C  CA  . HIS   A 1 88  ? -13.570 -15.084 4.238   1.000 35.799  0 101 HIS   AAA CA  1 ? 
ATOM   696  C  C   . HIS   A 1 88  ? -13.313 -16.585 4.074   1.000 37.049  0 101 HIS   AAA C   1 ? 
ATOM   697  O  O   . HIS   A 1 88  ? -12.473 -17.167 4.774   1.000 35.212  0 101 HIS   AAA O   1 ? 
ATOM   698  C  CB  . HIS   A 1 88  ? -12.852 -14.498 5.465   1.000 35.302  0 101 HIS   AAA CB  1 ? 
ATOM   699  C  CG  . HIS   A 1 88  ? -13.237 -13.101 5.851   1.000 38.618  0 101 HIS   AAA CG  1 ? 
ATOM   700  N  ND1 . HIS   A 1 88  ? -13.031 -11.994 5.052   1.000 40.326  0 101 HIS   AAA ND1 1 ? 
ATOM   701  C  CD2 . HIS   A 1 88  ? -13.778 -12.620 7.000   1.000 40.681  0 101 HIS   AAA CD2 1 ? 
ATOM   702  C  CE1 . HIS   A 1 88  ? -13.456 -10.900 5.684   1.000 40.376  0 101 HIS   AAA CE1 1 ? 
ATOM   703  N  NE2 . HIS   A 1 88  ? -13.930 -11.258 6.855   1.000 38.036  0 101 HIS   AAA NE2 1 ? 
ATOM   704  N  N   . ASP   A 1 89  ? -14.042 -17.190 3.126   1.000 36.067  0 102 ASP   AAA N   1 ? 
ATOM   705  C  CA  . ASP   A 1 89  ? -13.974 -18.618 2.851   1.000 37.794  0 102 ASP   AAA CA  1 ? 
ATOM   706  C  C   . ASP   A 1 89  ? -12.829 -18.903 1.886   1.000 36.462  0 102 ASP   AAA C   1 ? 
ATOM   707  O  O   . ASP   A 1 89  ? -13.064 -19.155 0.695   1.000 36.483  0 102 ASP   AAA O   1 ? 
ATOM   708  C  CB  . ASP   A 1 89  ? -15.287 -19.148 2.266   1.000 38.789  0 102 ASP   AAA CB  1 ? 
ATOM   709  C  CG  . ASP   A 1 89  ? -15.427 -20.658 2.285   1.000 39.036  0 102 ASP   AAA CG  1 ? 
ATOM   710  O  OD1 . ASP   A 1 89  ? -14.570 -21.350 2.924   1.000 35.125  0 102 ASP   AAA OD1 1 ? 
ATOM   711  O  OD2 . ASP   A 1 89  ? -16.385 -21.134 1.668   1.000 38.157  0 102 ASP   AAA OD2 1 ? 
ATOM   712  N  N   . ILE   A 1 90  ? -11.604 -18.880 2.434   1.000 30.556  0 103 ILE   AAA N   1 ? 
ATOM   713  C  CA  . ILE   A 1 90  ? -10.407 -19.033 1.640   1.000 32.307  0 103 ILE   AAA CA  1 ? 
ATOM   714  C  C   . ILE   A 1 90  ? -9.318  -19.675 2.494   1.000 31.559  0 103 ILE   AAA C   1 ? 
ATOM   715  O  O   . ILE   A 1 90  ? -9.146  -19.361 3.673   1.000 31.048  0 103 ILE   AAA O   1 ? 
ATOM   716  C  CB  . ILE   A 1 90  ? -9.967  -17.675 1.056   1.000 32.841  0 103 ILE   AAA CB  1 ? 
ATOM   717  C  CG1 . ILE   A 1 90  ? -8.739  -17.837 0.159   1.000 37.468  0 103 ILE   AAA CG1 1 ? 
ATOM   718  C  CG2 . ILE   A 1 90  ? -9.725  -16.658 2.146   1.000 32.449  0 103 ILE   AAA CG2 1 ? 
ATOM   719  C  CD1 . ILE   A 1 90  ? -8.420  -16.588 -0.657  1.000 41.405  0 103 ILE   AAA CD1 1 ? 
ATOM   720  N  N   . MET   A 1 91  ? -8.585  -20.593 1.875   1.000 28.464  0 104 MET   AAA N   1 ? 
ATOM   721  C  CA  . MET   A 1 91  ? -7.552  -21.316 2.580   1.000 31.072  0 104 MET   AAA CA  1 ? 
ATOM   722  C  C   . MET   A 1 91  ? -6.407  -21.628 1.624   1.000 31.872  0 104 MET   AAA C   1 ? 
ATOM   723  O  O   . MET   A 1 91  ? -6.648  -21.934 0.451   1.000 32.270  0 104 MET   AAA O   1 ? 
ATOM   724  C  CB  . MET   A 1 91  ? -8.119  -22.598 3.194   1.000 31.438  0 104 MET   AAA CB  1 ? 
ATOM   725  C  CG  . MET   A 1 91  ? -7.057  -23.587 3.660   1.000 34.436  0 104 MET   AAA CG  1 ? 
ATOM   726  S  SD  . MET   A 1 91  ? -7.739  -24.933 4.649   1.000 33.651  0 104 MET   AAA SD  1 ? 
ATOM   727  C  CE  . MET   A 1 91  ? -8.700  -25.771 3.387   1.000 35.331  0 104 MET   AAA CE  1 ? 
ATOM   728  N  N   . LEU   A 1 92  ? -5.172  -21.538 2.153   1.000 33.199  0 105 LEU   AAA N   1 ? 
ATOM   729  C  CA  . LEU   A 1 92  ? -3.975  -22.000 1.453   1.000 32.736  0 105 LEU   AAA CA  1 ? 
ATOM   730  C  C   . LEU   A 1 92  ? -3.490  -23.331 2.019   1.000 31.070  0 105 LEU   AAA C   1 ? 
ATOM   731  O  O   . LEU   A 1 92  ? -3.459  -23.495 3.227   1.000 30.701  0 105 LEU   AAA O   1 ? 
ATOM   732  C  CB  . LEU   A 1 92  ? -2.882  -20.948 1.606   1.000 36.294  0 105 LEU   AAA CB  1 ? 
ATOM   733  C  CG  . LEU   A 1 92  ? -2.887  -19.839 0.564   1.000 38.720  0 105 LEU   AAA CG  1 ? 
ATOM   734  C  CD1 . LEU   A 1 92  ? -1.933  -18.737 0.983   1.000 42.100  0 105 LEU   AAA CD1 1 ? 
ATOM   735  C  CD2 . LEU   A 1 92  ? -2.482  -20.384 -0.798  1.000 37.718  0 105 LEU   AAA CD2 1 ? 
ATOM   736  N  N   . LEU   A 1 93  ? -3.123  -24.272 1.131   1.000 32.217  0 106 LEU   AAA N   1 ? 
ATOM   737  C  CA  . LEU   A 1 93  ? -2.533  -25.551 1.520   1.000 31.404  0 106 LEU   AAA CA  1 ? 
ATOM   738  C  C   . LEU   A 1 93  ? -1.106  -25.669 1.004   1.000 32.886  0 106 LEU   AAA C   1 ? 
ATOM   739  O  O   . LEU   A 1 93  ? -0.914  -25.572 -0.196  1.000 33.372  0 106 LEU   AAA O   1 ? 
ATOM   740  C  CB  . LEU   A 1 93  ? -3.335  -26.701 0.923   1.000 28.259  0 106 LEU   AAA CB  1 ? 
ATOM   741  C  CG  . LEU   A 1 93  ? -4.822  -26.720 1.247   1.000 28.401  0 106 LEU   AAA CG  1 ? 
ATOM   742  C  CD1 . LEU   A 1 93  ? -5.516  -27.874 0.507   1.000 26.422  0 106 LEU   AAA CD1 1 ? 
ATOM   743  C  CD2 . LEU   A 1 93  ? -5.004  -26.812 2.745   1.000 29.538  0 106 LEU   AAA CD2 1 ? 
ATOM   744  N  N   . LYS   A 1 94  ? -0.150  -25.930 1.915   1.000 30.635  0 107 LYS   AAA N   1 ? 
ATOM   745  C  CA  . LYS   A 1 94  ? 1.243   -26.081 1.558   1.000 31.727  0 107 LYS   AAA CA  1 ? 
ATOM   746  C  C   . LYS   A 1 94  ? 1.514   -27.554 1.316   1.000 30.927  0 107 LYS   AAA C   1 ? 
ATOM   747  O  O   . LYS   A 1 94  ? 1.217   -28.374 2.157   1.000 33.238  0 107 LYS   AAA O   1 ? 
ATOM   748  C  CB  . LYS   A 1 94  ? 2.183   -25.555 2.647   1.000 36.073  0 107 LYS   AAA CB  1 ? 
ATOM   749  C  CG  . LYS   A 1 94  ? 3.659   -25.705 2.310   1.000 34.959  0 107 LYS   AAA CG  1 ? 
ATOM   750  C  CD  . LYS   A 1 94  ? 4.601   -25.010 3.244   1.000 37.231  0 107 LYS   AAA CD  1 ? 
ATOM   751  C  CE  . LYS   A 1 94  ? 5.975   -24.823 2.617   1.000 41.337  0 107 LYS   AAA CE  1 ? 
ATOM   752  N  NZ  . LYS   A 1 94  ? 6.882   -24.061 3.504   1.000 45.311  0 107 LYS   AAA NZ  1 ? 
ATOM   753  N  N   . LEU   A 1 95  ? 2.057   -27.880 0.146   1.000 33.717  0 108 LEU   AAA N   1 ? 
ATOM   754  C  CA  . LEU   A 1 95  ? 2.350   -29.263 -0.193  1.000 34.857  0 108 LEU   AAA CA  1 ? 
ATOM   755  C  C   . LEU   A 1 95  ? 3.722   -29.644 0.361   1.000 37.254  0 108 LEU   AAA C   1 ? 
ATOM   756  O  O   . LEU   A 1 95  ? 4.605   -28.804 0.435   1.000 37.260  0 108 LEU   AAA O   1 ? 
ATOM   757  C  CB  . LEU   A 1 95  ? 2.302   -29.412 -1.715  1.000 37.091  0 108 LEU   AAA CB  1 ? 
ATOM   758  C  CG  . LEU   A 1 95  ? 0.974   -29.040 -2.388  1.000 35.799  0 108 LEU   AAA CG  1 ? 
ATOM   759  C  CD1 . LEU   A 1 95  ? 0.971   -29.451 -3.864  1.000 34.959  0 108 LEU   AAA CD1 1 ? 
ATOM   760  C  CD2 . LEU   A 1 95  ? -0.192  -29.698 -1.674  1.000 32.525  0 108 LEU   AAA CD2 1 ? 
ATOM   761  N  N   . LYS   A 1 96  ? 3.892   -30.921 0.745   1.000 40.265  0 109 LYS   AAA N   1 ? 
ATOM   762  C  CA  A LYS   A 1 96  ? 5.137   -31.386 1.333   0.500 38.234  0 109 LYS   AAA CA  1 ? 
ATOM   763  C  CA  B LYS   A 1 96  ? 5.137   -31.402 1.322   0.500 37.423  0 109 LYS   AAA CA  1 ? 
ATOM   764  C  C   . LYS   A 1 96  ? 6.281   -31.142 0.344   1.000 37.360  0 109 LYS   AAA C   1 ? 
ATOM   765  O  O   . LYS   A 1 96  ? 7.381   -30.779 0.742   1.000 41.171  0 109 LYS   AAA O   1 ? 
ATOM   766  C  CB  A LYS   A 1 96  ? 4.989   -32.852 1.759   0.500 39.644  0 109 LYS   AAA CB  1 ? 
ATOM   767  C  CB  B LYS   A 1 96  ? 5.057   -32.895 1.662   0.500 37.639  0 109 LYS   AAA CB  1 ? 
ATOM   768  C  CG  A LYS   A 1 96  ? 5.775   -33.245 3.006   0.500 40.950  0 109 LYS   AAA CG  1 ? 
ATOM   769  C  CG  B LYS   A 1 96  ? 6.183   -33.403 2.559   0.500 37.465  0 109 LYS   AAA CG  1 ? 
ATOM   770  C  CD  A LYS   A 1 96  ? 6.996   -34.101 2.746   0.500 37.968  0 109 LYS   AAA CD  1 ? 
ATOM   771  C  CD  B LYS   A 1 96  ? 6.170   -32.750 3.938   0.500 34.978  0 109 LYS   AAA CD  1 ? 
ATOM   772  C  CE  A LYS   A 1 96  ? 7.724   -34.483 4.019   0.500 36.104  0 109 LYS   AAA CE  1 ? 
ATOM   773  C  CE  B LYS   A 1 96  ? 7.477   -32.871 4.690   0.500 33.025  0 109 LYS   AAA CE  1 ? 
ATOM   774  N  NZ  A LYS   A 1 96  ? 6.807   -34.693 5.162   0.500 32.633  0 109 LYS   AAA NZ  1 ? 
ATOM   775  N  NZ  B LYS   A 1 96  ? 7.586   -31.849 5.758   0.500 32.091  0 109 LYS   AAA NZ  1 ? 
ATOM   776  N  N   . GLU   A 1 97  ? 6.021   -31.343 -0.942  1.000 38.239  0 110 GLU   AAA N   1 ? 
ATOM   777  C  CA  . GLU   A 1 97  ? 7.027   -31.111 -1.964  1.000 43.987  0 110 GLU   AAA CA  1 ? 
ATOM   778  C  C   . GLU   A 1 97  ? 6.440   -30.276 -3.094  1.000 42.753  0 110 GLU   AAA C   1 ? 
ATOM   779  O  O   . GLU   A 1 97  ? 5.231   -30.076 -3.195  1.000 47.098  0 110 GLU   AAA O   1 ? 
ATOM   780  C  CB  . GLU   A 1 97  ? 7.565   -32.429 -2.527  1.000 49.151  0 110 GLU   AAA CB  1 ? 
ATOM   781  C  CG  . GLU   A 1 97  ? 8.443   -33.192 -1.553  1.000 61.007  0 110 GLU   AAA CG  1 ? 
ATOM   782  C  CD  . GLU   A 1 97  ? 9.654   -32.403 -1.084  1.000 70.127  0 110 GLU   AAA CD  1 ? 
ATOM   783  O  OE1 . GLU   A 1 97  ? 9.850   -32.278 0.147   1.000 62.286  0 110 GLU   AAA OE1 1 ? 
ATOM   784  O  OE2 . GLU   A 1 97  ? 10.377  -31.875 -1.958  1.000 87.334  0 110 GLU   AAA OE2 1 ? 
ATOM   785  N  N   . LYS   A 1 98  ? 7.334   -29.775 -3.934  1.000 42.250  0 111 LYS   AAA N   1 ? 
ATOM   786  C  CA  . LYS   A 1 98  ? 6.920   -29.111 -5.145  1.000 42.339  0 111 LYS   AAA CA  1 ? 
ATOM   787  C  C   . LYS   A 1 98  ? 6.476   -30.199 -6.113  1.000 39.784  0 111 LYS   AAA C   1 ? 
ATOM   788  O  O   . LYS   A 1 98  ? 7.175   -31.176 -6.316  1.000 41.489  0 111 LYS   AAA O   1 ? 
ATOM   789  C  CB  . LYS   A 1 98  ? 8.042   -28.173 -5.581  1.000 42.474  0 111 LYS   AAA CB  1 ? 
ATOM   790  C  CG  . LYS   A 1 98  ? 8.225   -27.023 -4.593  1.000 45.900  0 111 LYS   AAA CG  1 ? 
ATOM   791  C  CD  . LYS   A 1 98  ? 9.283   -26.013 -4.953  1.000 50.027  0 111 LYS   AAA CD  1 ? 
ATOM   792  C  CE  . LYS   A 1 98  ? 9.285   -24.790 -4.054  1.000 48.248  0 111 LYS   AAA CE  1 ? 
ATOM   793  N  NZ  . LYS   A 1 98  ? 9.948   -23.657 -4.720  1.000 51.332  0 111 LYS   AAA NZ  1 ? 
ATOM   794  N  N   . ALA   A 1 99  ? 5.266   -30.033 -6.634  1.000 32.559  0 112 ALA   AAA N   1 ? 
ATOM   795  C  CA  . ALA   A 1 99  ? 4.760   -30.844 -7.714  1.000 34.773  0 112 ALA   AAA CA  1 ? 
ATOM   796  C  C   . ALA   A 1 99  ? 5.661   -30.734 -8.945  1.000 35.383  0 112 ALA   AAA C   1 ? 
ATOM   797  O  O   . ALA   A 1 99  ? 6.304   -29.710 -9.190  1.000 34.307  0 112 ALA   AAA O   1 ? 
ATOM   798  C  CB  . ALA   A 1 99  ? 3.360   -30.346 -8.045  1.000 36.212  0 112 ALA   AAA CB  1 ? 
ATOM   799  N  N   . SER   A 1 100 ? 5.615   -31.784 -9.764  1.000 36.523  0 113 SER   AAA N   1 ? 
ATOM   800  C  CA  . SER   A 1 100 ? 6.268   -31.785 -11.060 1.000 33.757  0 113 SER   AAA CA  1 ? 
ATOM   801  C  C   . SER   A 1 100 ? 5.437   -30.974 -12.030 1.000 35.991  0 113 SER   AAA C   1 ? 
ATOM   802  O  O   . SER   A 1 100 ? 4.211   -31.019 -11.952 1.000 35.420  0 113 SER   AAA O   1 ? 
ATOM   803  C  CB  . SER   A 1 100 ? 6.462   -33.202 -11.539 1.000 32.088  0 113 SER   AAA CB  1 ? 
ATOM   804  O  OG  . SER   A 1 100 ? 7.367   -33.870 -10.675 1.000 29.388  0 113 SER   AAA OG  1 ? 
ATOM   805  N  N   . LEU   A 1 101 ? 6.112   -30.222 -12.915 1.000 40.939  0 114 LEU   AAA N   1 ? 
ATOM   806  C  CA  . LEU   A 1 101 ? 5.436   -29.555 -14.016 1.000 39.573  0 114 LEU   AAA CA  1 ? 
ATOM   807  C  C   . LEU   A 1 101 ? 5.336   -30.544 -15.166 1.000 37.823  0 114 LEU   AAA C   1 ? 
ATOM   808  O  O   . LEU   A 1 101 ? 6.346   -31.091 -15.597 1.000 37.047  0 114 LEU   AAA O   1 ? 
ATOM   809  C  CB  . LEU   A 1 101 ? 6.199   -28.298 -14.455 1.000 42.747  0 114 LEU   AAA CB  1 ? 
ATOM   810  C  CG  . LEU   A 1 101 ? 6.234   -27.149 -13.449 1.000 41.513  0 114 LEU   AAA CG  1 ? 
ATOM   811  C  CD1 . LEU   A 1 101 ? 6.792   -25.897 -14.081 1.000 39.884  0 114 LEU   AAA CD1 1 ? 
ATOM   812  C  CD2 . LEU   A 1 101 ? 4.864   -26.859 -12.887 1.000 46.495  0 114 LEU   AAA CD2 1 ? 
ATOM   813  N  N   . THR   A 1 102 ? 4.103   -30.806 -15.603 1.000 37.220  0 115 THR   AAA N   1 ? 
ATOM   814  C  CA  . THR   A 1 102 ? 3.851   -31.604 -16.790 1.000 36.015  0 115 THR   AAA CA  1 ? 
ATOM   815  C  C   . THR   A 1 102 ? 2.790   -30.920 -17.644 1.000 40.434  0 115 THR   AAA C   1 ? 
ATOM   816  O  O   . THR   A 1 102 ? 2.145   -29.968 -17.194 1.000 34.515  0 115 THR   AAA O   1 ? 
ATOM   817  C  CB  . THR   A 1 102 ? 3.331   -32.981 -16.393 1.000 33.775  0 115 THR   AAA CB  1 ? 
ATOM   818  O  OG1 . THR   A 1 102 ? 2.069   -32.773 -15.742 1.000 29.846  0 115 THR   AAA OG1 1 ? 
ATOM   819  C  CG2 . THR   A 1 102 ? 4.297   -33.730 -15.491 1.000 33.193  0 115 THR   AAA CG2 1 ? 
ATOM   820  N  N   . LEU   A 1 103 ? 2.501   -31.526 -18.800 1.000 42.131  0 116 LEU   AAA N   1 ? 
ATOM   821  C  CA  . LEU   A 1 103 ? 1.374   -31.094 -19.622 1.000 43.450  0 116 LEU   AAA CA  1 ? 
ATOM   822  C  C   . LEU   A 1 103 ? 0.097   -31.088 -18.783 1.000 38.952  0 116 LEU   AAA C   1 ? 
ATOM   823  O  O   . LEU   A 1 103 ? -0.739  -30.189 -18.913 1.000 40.684  0 116 LEU   AAA O   1 ? 
ATOM   824  C  CB  . LEU   A 1 103 ? 1.248   -31.991 -20.870 1.000 42.963  0 116 LEU   AAA CB  1 ? 
ATOM   825  C  CG  . LEU   A 1 103 ? 0.264   -31.517 -21.952 1.000 50.280  0 116 LEU   AAA CG  1 ? 
ATOM   826  C  CD1 . LEU   A 1 103 ? 0.261   -29.993 -22.128 1.000 49.917  0 116 LEU   AAA CD1 1 ? 
ATOM   827  C  CD2 . LEU   A 1 103 ? 0.558   -32.172 -23.311 1.000 47.435  0 116 LEU   AAA CD2 1 ? 
ATOM   828  N  N   . ALA   A 1 104 ? -0.051  -32.083 -17.909 1.000 33.517  0 117 ALA   AAA N   1 ? 
ATOM   829  C  CA  . ALA   A 1 104 ? -1.308  -32.283 -17.209 1.000 35.241  0 117 ALA   AAA CA  1 ? 
ATOM   830  C  C   . ALA   A 1 104 ? -1.357  -31.539 -15.872 1.000 35.738  0 117 ALA   AAA C   1 ? 
ATOM   831  O  O   . ALA   A 1 104 ? -2.419  -31.451 -15.254 1.000 35.460  0 117 ALA   AAA O   1 ? 
ATOM   832  C  CB  . ALA   A 1 104 ? -1.523  -33.761 -17.013 1.000 38.415  0 117 ALA   AAA CB  1 ? 
ATOM   833  N  N   . VAL   A 1 105 ? -0.214  -31.007 -15.416 1.000 38.315  0 118 VAL   AAA N   1 ? 
ATOM   834  C  CA  . VAL   A 1 105 ? -0.136  -30.332 -14.128 1.000 34.904  0 118 VAL   AAA CA  1 ? 
ATOM   835  C  C   . VAL   A 1 105 ? 0.700   -29.060 -14.269 1.000 35.928  0 118 VAL   AAA C   1 ? 
ATOM   836  O  O   . VAL   A 1 105 ? 1.880   -29.131 -14.613 1.000 37.928  0 118 VAL   AAA O   1 ? 
ATOM   837  C  CB  . VAL   A 1 105 ? 0.477   -31.241 -13.040 1.000 30.506  0 118 VAL   AAA CB  1 ? 
ATOM   838  C  CG1 . VAL   A 1 105 ? 0.712   -30.462 -11.760 1.000 31.093  0 118 VAL   AAA CG1 1 ? 
ATOM   839  C  CG2 . VAL   A 1 105 ? -0.335  -32.496 -12.766 1.000 29.488  0 118 VAL   AAA CG2 1 ? 
ATOM   840  N  N   . GLY   A 1 106 ? 0.098   -27.912 -13.930 1.000 34.144  0 119 GLY   AAA N   1 ? 
ATOM   841  C  CA  . GLY   A 1 106 ? 0.779   -26.624 -13.983 1.000 31.993  0 119 GLY   AAA CA  1 ? 
ATOM   842  C  C   . GLY   A 1 106 ? 0.113   -25.610 -13.061 1.000 32.630  0 119 GLY   AAA C   1 ? 
ATOM   843  O  O   . GLY   A 1 106 ? -0.975  -25.881 -12.572 1.000 38.210  0 119 GLY   AAA O   1 ? 
ATOM   844  N  N   . THR   A 1 107 ? 0.789   -24.482 -12.784 1.000 34.636  0 120 THR   AAA N   1 ? 
ATOM   845  C  CA  . THR   A 1 107 ? 0.260   -23.447 -11.913 1.000 36.752  0 120 THR   AAA CA  1 ? 
ATOM   846  C  C   . THR   A 1 107 ? -0.640  -22.514 -12.730 1.000 38.591  0 120 THR   AAA C   1 ? 
ATOM   847  O  O   . THR   A 1 107 ? -0.496  -22.349 -13.942 1.000 43.697  0 120 THR   AAA O   1 ? 
ATOM   848  C  CB  . THR   A 1 107 ? 1.367   -22.684 -11.159 1.000 38.355  0 120 THR   AAA CB  1 ? 
ATOM   849  O  OG1 . THR   A 1 107 ? 2.327   -22.127 -12.048 1.000 39.765  0 120 THR   AAA OG1 1 ? 
ATOM   850  C  CG2 . THR   A 1 107 ? 2.152   -23.541 -10.195 1.000 39.521  0 120 THR   AAA CG2 1 ? 
ATOM   851  N  N   . LEU   A 1 108 ? -1.646  -21.953 -12.081 1.000 37.770  0 121 LEU   AAA N   1 ? 
ATOM   852  C  CA  . LEU   A 1 108 ? -2.429  -20.917 -12.726 1.000 45.866  0 121 LEU   AAA CA  1 ? 
ATOM   853  C  C   . LEU   A 1 108 ? -1.821  -19.553 -12.398 1.000 44.258  0 121 LEU   AAA C   1 ? 
ATOM   854  O  O   . LEU   A 1 108 ? -1.949  -19.251 -11.196 1.000 48.424  0 121 LEU   AAA O   1 ? 
ATOM   855  C  CB  . LEU   A 1 108 ? -3.876  -21.016 -12.245 1.000 39.292  0 121 LEU   AAA CB  1 ? 
ATOM   856  C  CG  . LEU   A 1 108 ? -4.797  -19.890 -12.707 1.000 45.932  0 121 LEU   AAA CG  1 ? 
ATOM   857  C  CD1 . LEU   A 1 108 ? -4.978  -19.883 -14.218 1.000 44.608  0 121 LEU   AAA CD1 1 ? 
ATOM   858  C  CD2 . LEU   A 1 108 ? -6.143  -20.023 -12.026 1.000 53.788  0 121 LEU   AAA CD2 1 ? 
ATOM   859  N  N   . GLY   A 1 120 ? -22.189 -8.084  -16.033 1.000 62.921  0 133 GLY   AAA N   1 ? 
ATOM   860  C  CA  . GLY   A 1 120 ? -22.787 -9.285  -16.662 1.000 67.882  0 133 GLY   AAA CA  1 ? 
ATOM   861  C  C   . GLY   A 1 120 ? -21.869 -10.039 -17.635 1.000 74.259  0 133 GLY   AAA C   1 ? 
ATOM   862  O  O   . GLY   A 1 120 ? -22.322 -10.444 -18.705 1.000 86.302  0 133 GLY   AAA O   1 ? 
ATOM   863  N  N   . ARG   A 1 121 ? -20.602 -10.277 -17.255 1.000 71.532  0 134 ARG   AAA N   1 ? 
ATOM   864  C  CA  . ARG   A 1 121 ? -19.659 -10.987 -18.110 1.000 69.024  0 134 ARG   AAA CA  1 ? 
ATOM   865  C  C   . ARG   A 1 121 ? -19.694 -12.479 -17.772 1.000 58.123  0 134 ARG   AAA C   1 ? 
ATOM   866  O  O   . ARG   A 1 121 ? -20.129 -12.858 -16.690 1.000 58.641  0 134 ARG   AAA O   1 ? 
ATOM   867  C  CB  . ARG   A 1 121 ? -18.257 -10.385 -17.968 1.000 77.451  0 134 ARG   AAA CB  1 ? 
ATOM   868  C  CG  . ARG   A 1 121 ? -17.740 -10.336 -16.536 1.000 88.226  0 134 ARG   AAA CG  1 ? 
ATOM   869  C  CD  . ARG   A 1 121 ? -16.228 -10.247 -16.465 1.000 99.272  0 134 ARG   AAA CD  1 ? 
ATOM   870  N  NE  . ARG   A 1 121 ? -15.612 -11.263 -17.316 1.000 106.397 0 134 ARG   AAA NE  1 ? 
ATOM   871  C  CZ  . ARG   A 1 121 ? -14.835 -11.030 -18.374 1.000 103.312 0 134 ARG   AAA CZ  1 ? 
ATOM   872  N  NH1 . ARG   A 1 121 ? -14.483 -9.800  -18.708 1.000 97.135  0 134 ARG   AAA NH1 1 ? 
ATOM   873  N  NH2 . ARG   A 1 121 ? -14.408 -12.048 -19.104 1.000 100.196 0 134 ARG   AAA NH2 1 ? 
ATOM   874  N  N   . MET   A 1 122 ? -19.263 -13.321 -18.719 1.000 52.846  0 135 MET   AAA N   1 ? 
ATOM   875  C  CA  . MET   A 1 122 ? -19.331 -14.772 -18.584 1.000 58.965  0 135 MET   AAA CA  1 ? 
ATOM   876  C  C   . MET   A 1 122 ? -18.018 -15.321 -18.003 1.000 53.785  0 135 MET   AAA C   1 ? 
ATOM   877  O  O   . MET   A 1 122 ? -16.931 -14.943 -18.429 1.000 47.198  0 135 MET   AAA O   1 ? 
ATOM   878  C  CB  . MET   A 1 122 ? -19.578 -15.458 -19.941 1.000 65.521  0 135 MET   AAA CB  1 ? 
ATOM   879  C  CG  . MET   A 1 122 ? -21.038 -15.507 -20.441 1.000 69.111  0 135 MET   AAA CG  1 ? 
ATOM   880  S  SD  . MET   A 1 122 ? -22.351 -16.048 -19.271 1.000 72.553  0 135 MET   AAA SD  1 ? 
ATOM   881  C  CE  . MET   A 1 122 ? -23.608 -14.818 -19.643 1.000 67.740  0 135 MET   AAA CE  1 ? 
ATOM   882  N  N   . CYS   A 1 123 ? -18.129 -16.254 -17.046 1.000 51.238  0 136 CYS   AAA N   1 ? 
ATOM   883  C  CA  . CYS   A 1 123 ? -16.978 -16.838 -16.365 1.000 47.672  0 136 CYS   AAA CA  1 ? 
ATOM   884  C  C   . CYS   A 1 123 ? -17.120 -18.360 -16.404 1.000 46.753  0 136 CYS   AAA C   1 ? 
ATOM   885  O  O   . CYS   A 1 123 ? -18.174 -18.883 -16.763 1.000 43.905  0 136 CYS   AAA O   1 ? 
ATOM   886  C  CB  . CYS   A 1 123 ? -16.855 -16.317 -14.933 1.000 47.193  0 136 CYS   AAA CB  1 ? 
ATOM   887  S  SG  . CYS   A 1 123 ? -16.720 -14.508 -14.787 1.000 43.574  0 136 CYS   AAA SG  1 ? 
ATOM   888  N  N   . ARG   A 1 124 ? -16.039 -19.084 -16.108 1.000 44.947  0 137 ARG   AAA N   1 ? 
ATOM   889  C  CA  . ARG   A 1 124 ? -16.094 -20.539 -16.145 1.000 50.353  0 137 ARG   AAA CA  1 ? 
ATOM   890  C  C   . ARG   A 1 124 ? -15.670 -21.080 -14.785 1.000 40.465  0 137 ARG   AAA C   1 ? 
ATOM   891  O  O   . ARG   A 1 124 ? -14.818 -20.495 -14.135 1.000 40.507  0 137 ARG   AAA O   1 ? 
ATOM   892  C  CB  . ARG   A 1 124 ? -15.267 -21.112 -17.310 1.000 59.623  0 137 ARG   AAA CB  1 ? 
ATOM   893  C  CG  . ARG   A 1 124 ? -16.087 -21.241 -18.590 1.000 75.493  0 137 ARG   AAA CG  1 ? 
ATOM   894  C  CD  . ARG   A 1 124 ? -15.375 -21.653 -19.869 1.000 88.655  0 137 ARG   AAA CD  1 ? 
ATOM   895  N  NE  . ARG   A 1 124 ? -14.411 -20.660 -20.338 1.000 108.513 0 137 ARG   AAA NE  1 ? 
ATOM   896  C  CZ  . ARG   A 1 124 ? -14.588 -19.846 -21.384 1.000 120.536 0 137 ARG   AAA CZ  1 ? 
ATOM   897  N  NH1 . ARG   A 1 124 ? -15.735 -19.838 -22.045 1.000 114.732 0 137 ARG   AAA NH1 1 ? 
ATOM   898  N  NH2 . ARG   A 1 124 ? -13.618 -19.024 -21.756 1.000 122.799 0 137 ARG   AAA NH2 1 ? 
ATOM   899  N  N   . VAL   A 1 125 ? -16.287 -22.191 -14.384 1.000 37.060  0 138 VAL   AAA N   1 ? 
ATOM   900  C  CA  . VAL   A 1 125 ? -15.908 -22.916 -13.180 1.000 40.194  0 138 VAL   AAA CA  1 ? 
ATOM   901  C  C   . VAL   A 1 125 ? -15.933 -24.421 -13.466 1.000 40.239  0 138 VAL   AAA C   1 ? 
ATOM   902  O  O   . VAL   A 1 125 ? -16.827 -24.909 -14.184 1.000 40.202  0 138 VAL   AAA O   1 ? 
ATOM   903  C  CB  . VAL   A 1 125 ? -16.852 -22.566 -12.011 1.000 41.981  0 138 VAL   AAA CB  1 ? 
ATOM   904  C  CG1 . VAL   A 1 125 ? -18.306 -22.837 -12.372 1.000 43.308  0 138 VAL   AAA CG1 1 ? 
ATOM   905  C  CG2 . VAL   A 1 125 ? -16.475 -23.310 -10.738 1.000 40.963  0 138 VAL   AAA CG2 1 ? 
ATOM   906  N  N   . ALA   A 1 126 ? -15.017 -25.151 -12.805 1.000 34.523  0 139 ALA   AAA N   1 ? 
ATOM   907  C  CA  . ALA   A 1 126 ? -14.883 -26.585 -13.000 1.000 35.254  0 139 ALA   AAA CA  1 ? 
ATOM   908  C  C   . ALA   A 1 126 ? -14.761 -27.345 -11.673 1.000 34.730  0 139 ALA   AAA C   1 ? 
ATOM   909  O  O   . ALA   A 1 126 ? -14.324 -26.792 -10.661 1.000 33.059  0 139 ALA   AAA O   1 ? 
ATOM   910  C  CB  . ALA   A 1 126 ? -13.706 -26.855 -13.894 1.000 32.930  0 139 ALA   AAA CB  1 ? 
ATOM   911  N  N   . GLY   A 1 127 ? -15.137 -28.640 -11.706 1.000 35.967  0 140 GLY   AAA N   1 ? 
ATOM   912  C  CA  . GLY   A 1 127 ? -15.106 -29.486 -10.521 1.000 35.544  0 140 GLY   AAA CA  1 ? 
ATOM   913  C  C   . GLY   A 1 127 ? -15.657 -30.902 -10.718 1.000 34.744  0 140 GLY   AAA C   1 ? 
ATOM   914  O  O   . GLY   A 1 127 ? -16.180 -31.262 -11.775 1.000 38.536  0 140 GLY   AAA O   1 ? 
ATOM   915  N  N   . TRP   A 1 128 ? -15.516 -31.691 -9.654  1.000 31.849  0 141 TRP   AAA N   1 ? 
ATOM   916  C  CA  . TRP   A 1 128 ? -15.893 -33.088 -9.612  1.000 35.102  0 141 TRP   AAA CA  1 ? 
ATOM   917  C  C   . TRP   A 1 128 ? -17.164 -33.260 -8.802  1.000 37.691  0 141 TRP   AAA C   1 ? 
ATOM   918  O  O   . TRP   A 1 128 ? -17.489 -34.369 -8.392  1.000 42.018  0 141 TRP   AAA O   1 ? 
ATOM   919  C  CB  . TRP   A 1 128 ? -14.758 -33.915 -8.989  1.000 36.649  0 141 TRP   AAA CB  1 ? 
ATOM   920  C  CG  . TRP   A 1 128 ? -13.596 -34.120 -9.900  1.000 36.289  0 141 TRP   AAA CG  1 ? 
ATOM   921  C  CD1 . TRP   A 1 128 ? -13.476 -35.062 -10.878 1.000 40.355  0 141 TRP   AAA CD1 1 ? 
ATOM   922  C  CD2 . TRP   A 1 128 ? -12.410 -33.318 -9.961  1.000 38.220  0 141 TRP   AAA CD2 1 ? 
ATOM   923  N  NE1 . TRP   A 1 128 ? -12.270 -34.935 -11.514 1.000 41.784  0 141 TRP   AAA NE1 1 ? 
ATOM   924  C  CE2 . TRP   A 1 128 ? -11.594 -33.875 -10.971 1.000 40.663  0 141 TRP   AAA CE2 1 ? 
ATOM   925  C  CE3 . TRP   A 1 128 ? -11.952 -32.201 -9.249  1.000 36.918  0 141 TRP   AAA CE3 1 ? 
ATOM   926  C  CZ2 . TRP   A 1 128 ? -10.354 -33.336 -11.300 1.000 38.062  0 141 TRP   AAA CZ2 1 ? 
ATOM   927  C  CZ3 . TRP   A 1 128 ? -10.729 -31.670 -9.572  1.000 34.783  0 141 TRP   AAA CZ3 1 ? 
ATOM   928  C  CH2 . TRP   A 1 128 ? -9.940  -32.236 -10.580 1.000 37.552  0 141 TRP   AAA CH2 1 ? 
ATOM   929  N  N   . GLY   A 1 129 ? -17.891 -32.165 -8.573  1.000 37.491  0 142 GLY   AAA N   1 ? 
ATOM   930  C  CA  . GLY   A 1 129 ? -19.011 -32.231 -7.657  1.000 35.946  0 142 GLY   AAA CA  1 ? 
ATOM   931  C  C   . GLY   A 1 129 ? -20.221 -32.902 -8.307  1.000 38.868  0 142 GLY   AAA C   1 ? 
ATOM   932  O  O   . GLY   A 1 129 ? -20.169 -33.252 -9.487  1.000 35.157  0 142 GLY   AAA O   1 ? 
ATOM   933  N  N   . ARG   A 1 130 ? -21.312 -32.984 -7.526  1.000 39.060  0 143 ARG   AAA N   1 ? 
ATOM   934  C  CA  . ARG   A 1 130 ? -22.599 -33.515 -7.938  1.000 42.108  0 143 ARG   AAA CA  1 ? 
ATOM   935  C  C   . ARG   A 1 130 ? -23.114 -32.783 -9.169  1.000 42.716  0 143 ARG   AAA C   1 ? 
ATOM   936  O  O   . ARG   A 1 130 ? -22.894 -31.588 -9.307  1.000 44.845  0 143 ARG   AAA O   1 ? 
ATOM   937  C  CB  . ARG   A 1 130 ? -23.555 -33.447 -6.739  1.000 46.471  0 143 ARG   AAA CB  1 ? 
ATOM   938  C  CG  . ARG   A 1 130 ? -23.159 -34.452 -5.662  1.000 49.540  0 143 ARG   AAA CG  1 ? 
ATOM   939  C  CD  . ARG   A 1 130 ? -23.611 -34.170 -4.253  1.000 53.714  0 143 ARG   AAA CD  1 ? 
ATOM   940  N  NE  . ARG   A 1 130 ? -23.201 -35.303 -3.433  1.000 62.626  0 143 ARG   AAA NE  1 ? 
ATOM   941  C  CZ  . ARG   A 1 130 ? -23.695 -35.617 -2.239  1.000 64.805  0 143 ARG   AAA CZ  1 ? 
ATOM   942  N  NH1 . ARG   A 1 130 ? -24.638 -34.888 -1.674  1.000 67.861  0 143 ARG   AAA NH1 1 ? 
ATOM   943  N  NH2 . ARG   A 1 130 ? -23.239 -36.682 -1.606  1.000 71.569  0 143 ARG   AAA NH2 1 ? 
ATOM   944  N  N   . THR   A 1 131 ? -23.781 -33.545 -10.051 1.000 44.358  0 144 THR   AAA N   1 ? 
ATOM   945  C  CA  . THR   A 1 131 ? -24.291 -33.083 -11.333 1.000 45.169  0 144 THR   AAA CA  1 ? 
ATOM   946  C  C   . THR   A 1 131 ? -25.771 -32.703 -11.225 1.000 47.456  0 144 THR   AAA C   1 ? 
ATOM   947  O  O   . THR   A 1 131 ? -26.386 -32.280 -12.204 1.000 52.648  0 144 THR   AAA O   1 ? 
ATOM   948  C  CB  . THR   A 1 131 ? -24.063 -34.149 -12.415 1.000 47.161  0 144 THR   AAA CB  1 ? 
ATOM   949  O  OG1 . THR   A 1 131 ? -24.588 -35.407 -11.982 1.000 53.067  0 144 THR   AAA OG1 1 ? 
ATOM   950  C  CG2 . THR   A 1 131 ? -22.598 -34.364 -12.746 1.000 46.716  0 144 THR   AAA CG2 1 ? 
ATOM   951  N  N   . GLY   A 1 132 ? -26.327 -32.802 -10.015 1.000 43.429  0 145 GLY   AAA N   1 ? 
ATOM   952  C  CA  . GLY   A 1 132 ? -27.739 -32.570 -9.771  1.000 42.263  0 145 GLY   AAA CA  1 ? 
ATOM   953  C  C   . GLY   A 1 132 ? -28.041 -32.791 -8.292  1.000 48.740  0 145 GLY   AAA C   1 ? 
ATOM   954  O  O   . GLY   A 1 132 ? -27.186 -33.306 -7.559  1.000 45.153  0 145 GLY   AAA O   1 ? 
ATOM   955  N  N   . VAL   A 1 133 ? -29.243 -32.394 -7.849  1.000 48.082  0 146 VAL   AAA N   1 ? 
ATOM   956  C  CA  . VAL   A 1 133 ? -29.533 -32.389 -6.427  1.000 51.346  0 146 VAL   AAA CA  1 ? 
ATOM   957  C  C   . VAL   A 1 133 ? -29.315 -33.791 -5.852  1.000 52.691  0 146 VAL   AAA C   1 ? 
ATOM   958  O  O   . VAL   A 1 133 ? -28.725 -33.924 -4.787  1.000 54.062  0 146 VAL   AAA O   1 ? 
ATOM   959  C  CB  . VAL   A 1 133 ? -30.946 -31.849 -6.117  1.000 53.335  0 146 VAL   AAA CB  1 ? 
ATOM   960  C  CG1 . VAL   A 1 133 ? -31.380 -32.179 -4.696  1.000 55.191  0 146 VAL   AAA CG1 1 ? 
ATOM   961  C  CG2 . VAL   A 1 133 ? -31.032 -30.348 -6.336  1.000 56.394  0 146 VAL   AAA CG2 1 ? 
ATOM   962  N  N   . LEU   A 1 134 ? -29.812 -34.835 -6.525  1.000 58.033  0 147 LEU   AAA N   1 ? 
ATOM   963  C  CA  . LEU   A 1 134 ? -29.709 -36.182 -5.974  1.000 65.234  0 147 LEU   AAA CA  1 ? 
ATOM   964  C  C   . LEU   A 1 134 ? -28.671 -37.030 -6.715  1.000 57.373  0 147 LEU   AAA C   1 ? 
ATOM   965  O  O   . LEU   A 1 134 ? -28.573 -38.224 -6.456  1.000 61.794  0 147 LEU   AAA O   1 ? 
ATOM   966  C  CB  . LEU   A 1 134 ? -31.091 -36.849 -6.017  1.000 62.273  0 147 LEU   AAA CB  1 ? 
ATOM   967  C  CG  . LEU   A 1 134 ? -32.017 -36.591 -4.825  1.000 67.574  0 147 LEU   AAA CG  1 ? 
ATOM   968  C  CD1 . LEU   A 1 134 ? -31.257 -36.464 -3.507  1.000 77.320  0 147 LEU   AAA CD1 1 ? 
ATOM   969  C  CD2 . LEU   A 1 134 ? -32.883 -35.369 -5.060  1.000 66.387  0 147 LEU   AAA CD2 1 ? 
ATOM   970  N  N   . LYS   A 1 135 ? -27.965 -36.392 -7.649  1.000 50.577  0 148 LYS   AAA N   1 ? 
ATOM   971  C  CA  . LYS   A 1 135 ? -26.927 -37.099 -8.437  1.000 58.078  0 148 LYS   AAA CA  1 ? 
ATOM   972  C  C   . LYS   A 1 135 ? -25.664 -37.224 -7.588  1.000 54.101  0 148 LYS   AAA C   1 ? 
ATOM   973  O  O   . LYS   A 1 135 ? -25.424 -36.345 -6.744  1.000 49.285  0 148 LYS   AAA O   1 ? 
ATOM   974  C  CB  . LYS   A 1 135 ? -26.621 -36.331 -9.725  1.000 61.449  0 148 LYS   AAA CB  1 ? 
ATOM   975  C  CG  . LYS   A 1 135 ? -27.838 -35.829 -10.487 1.000 63.997  0 148 LYS   AAA CG  1 ? 
ATOM   976  C  CD  . LYS   A 1 135 ? -28.765 -36.934 -10.933 1.000 71.159  0 148 LYS   AAA CD  1 ? 
ATOM   977  C  CE  . LYS   A 1 135 ? -29.672 -36.514 -12.069 1.000 79.107  0 148 LYS   AAA CE  1 ? 
ATOM   978  N  NZ  . LYS   A 1 135 ? -28.977 -35.617 -13.023 1.000 82.849  0 148 LYS   AAA NZ  1 ? 
ATOM   979  N  N   . PRO   A 1 136 ? -24.860 -38.288 -7.766  1.000 58.594  0 150 PRO   AAA N   1 ? 
ATOM   980  C  CA  . PRO   A 1 136 ? -23.604 -38.411 -7.043  1.000 55.954  0 150 PRO   AAA CA  1 ? 
ATOM   981  C  C   . PRO   A 1 136 ? -22.495 -37.580 -7.704  1.000 53.464  0 150 PRO   AAA C   1 ? 
ATOM   982  O  O   . PRO   A 1 136 ? -22.714 -37.072 -8.789  1.000 51.482  0 150 PRO   AAA O   1 ? 
ATOM   983  C  CB  . PRO   A 1 136 ? -23.321 -39.911 -7.170  1.000 60.765  0 150 PRO   AAA CB  1 ? 
ATOM   984  C  CG  . PRO   A 1 136 ? -23.885 -40.272 -8.524  1.000 60.115  0 150 PRO   AAA CG  1 ? 
ATOM   985  C  CD  . PRO   A 1 136 ? -25.127 -39.417 -8.658  1.000 62.502  0 150 PRO   AAA CD  1 ? 
ATOM   986  N  N   . GLY   A 1 137 ? -21.352 -37.445 -7.032  1.000 48.956  0 151 GLY   AAA N   1 ? 
ATOM   987  C  CA  . GLY   A 1 137 ? -20.216 -36.711 -7.568  1.000 48.295  0 151 GLY   AAA CA  1 ? 
ATOM   988  C  C   . GLY   A 1 137 ? -19.796 -37.263 -8.925  1.000 41.776  0 151 GLY   AAA C   1 ? 
ATOM   989  O  O   . GLY   A 1 137 ? -19.874 -38.460 -9.165  1.000 47.243  0 151 GLY   AAA O   1 ? 
ATOM   990  N  N   . SER   A 1 138 ? -19.389 -36.373 -9.815  1.000 43.021  0 152 SER   AAA N   1 ? 
ATOM   991  C  CA  . SER   A 1 138 ? -18.944 -36.734 -11.153 1.000 42.447  0 152 SER   AAA CA  1 ? 
ATOM   992  C  C   . SER   A 1 138 ? -17.637 -37.525 -11.083 1.000 40.078  0 152 SER   AAA C   1 ? 
ATOM   993  O  O   . SER   A 1 138 ? -16.743 -37.184 -10.307 1.000 43.803  0 152 SER   AAA O   1 ? 
ATOM   994  C  CB  . SER   A 1 138 ? -18.770 -35.473 -11.981 1.000 39.397  0 152 SER   AAA CB  1 ? 
ATOM   995  O  OG  . SER   A 1 138 ? -18.311 -35.777 -13.296 1.000 41.097  0 152 SER   AAA OG  1 ? 
ATOM   996  N  N   . ASP   A 1 139 ? -17.505 -38.550 -11.928 1.000 41.073  0 153 ASP   AAA N   1 ? 
ATOM   997  C  CA  . ASP   A 1 139 ? -16.245 -39.270 -12.053 1.000 42.581  0 153 ASP   AAA CA  1 ? 
ATOM   998  C  C   . ASP   A 1 139 ? -15.192 -38.363 -12.689 1.000 41.065  0 153 ASP   AAA C   1 ? 
ATOM   999  O  O   . ASP   A 1 139 ? -13.993 -38.501 -12.407 1.000 38.555  0 153 ASP   AAA O   1 ? 
ATOM   1000 C  CB  . ASP   A 1 139 ? -16.363 -40.513 -12.936 1.000 43.418  0 153 ASP   AAA CB  1 ? 
ATOM   1001 C  CG  . ASP   A 1 139 ? -17.123 -41.680 -12.337 1.000 46.771  0 153 ASP   AAA CG  1 ? 
ATOM   1002 O  OD1 . ASP   A 1 139 ? -17.235 -41.768 -11.078 1.000 48.561  0 153 ASP   AAA OD1 1 ? 
ATOM   1003 O  OD2 . ASP   A 1 139 ? -17.632 -42.472 -13.144 1.000 50.888  0 153 ASP   AAA OD2 1 ? 
ATOM   1004 N  N   . THR   A 1 140 ? -15.663 -37.487 -13.590 1.000 39.581  0 154 THR   AAA N   1 ? 
ATOM   1005 C  CA  . THR   A 1 140 ? -14.799 -36.763 -14.510 1.000 40.942  0 154 THR   AAA CA  1 ? 
ATOM   1006 C  C   . THR   A 1 140 ? -14.888 -35.270 -14.209 1.000 42.879  0 154 THR   AAA C   1 ? 
ATOM   1007 O  O   . THR   A 1 140 ? -15.917 -34.802 -13.717 1.000 40.884  0 154 THR   AAA O   1 ? 
ATOM   1008 C  CB  . THR   A 1 140 ? -15.200 -37.020 -15.971 1.000 40.092  0 154 THR   AAA CB  1 ? 
ATOM   1009 O  OG1 . THR   A 1 140 ? -16.528 -36.531 -16.137 1.000 40.284  0 154 THR   AAA OG1 1 ? 
ATOM   1010 C  CG2 . THR   A 1 140 ? -15.124 -38.478 -16.380 1.000 40.397  0 154 THR   AAA CG2 1 ? 
ATOM   1011 N  N   . LEU   A 1 141 ? -13.827 -34.530 -14.550 1.000 40.484  0 155 LEU   AAA N   1 ? 
ATOM   1012 C  CA  . LEU   A 1 141 ? -13.847 -33.088 -14.395 1.000 38.399  0 155 LEU   AAA CA  1 ? 
ATOM   1013 C  C   . LEU   A 1 141 ? -14.894 -32.513 -15.337 1.000 42.510  0 155 LEU   AAA C   1 ? 
ATOM   1014 O  O   . LEU   A 1 141 ? -14.885 -32.848 -16.533 1.000 41.392  0 155 LEU   AAA O   1 ? 
ATOM   1015 C  CB  . LEU   A 1 141 ? -12.462 -32.513 -14.687 1.000 37.989  0 155 LEU   AAA CB  1 ? 
ATOM   1016 C  CG  . LEU   A 1 141 ? -12.284 -31.024 -14.401 1.000 37.233  0 155 LEU   AAA CG  1 ? 
ATOM   1017 C  CD1 . LEU   A 1 141 ? -12.533 -30.706 -12.945 1.000 36.683  0 155 LEU   AAA CD1 1 ? 
ATOM   1018 C  CD2 . LEU   A 1 141 ? -10.889 -30.580 -14.791 1.000 36.981  0 155 LEU   AAA CD2 1 ? 
ATOM   1019 N  N   . GLN   A 1 142 ? -15.784 -31.677 -14.759 1.000 36.881  0 156 GLN   AAA N   1 ? 
ATOM   1020 C  CA  . GLN   A 1 142 ? -16.838 -30.977 -15.484 1.000 37.883  0 156 GLN   AAA CA  1 ? 
ATOM   1021 C  C   . GLN   A 1 142 ? -16.641 -29.464 -15.385 1.000 39.881  0 156 GLN   AAA C   1 ? 
ATOM   1022 O  O   . GLN   A 1 142 ? -16.147 -28.952 -14.368 1.000 33.336  0 156 GLN   AAA O   1 ? 
ATOM   1023 C  CB  . GLN   A 1 142 ? -18.224 -31.297 -14.896 1.000 39.397  0 156 GLN   AAA CB  1 ? 
ATOM   1024 C  CG  . GLN   A 1 142 ? -18.578 -32.782 -14.868 1.000 41.147  0 156 GLN   AAA CG  1 ? 
ATOM   1025 C  CD  . GLN   A 1 142 ? -19.303 -33.299 -16.094 1.000 41.121  0 156 GLN   AAA CD  1 ? 
ATOM   1026 O  OE1 . GLN   A 1 142 ? -20.332 -32.765 -16.492 1.000 40.147  0 156 GLN   AAA OE1 1 ? 
ATOM   1027 N  NE2 . GLN   A 1 142 ? -18.806 -34.384 -16.679 1.000 42.845  0 156 GLN   AAA NE2 1 ? 
ATOM   1028 N  N   . GLU   A 1 143 ? -17.114 -28.743 -16.422 1.000 43.608  0 157 GLU   AAA N   1 ? 
ATOM   1029 C  CA  . GLU   A 1 143 ? -17.063 -27.287 -16.437 1.000 42.495  0 157 GLU   AAA CA  1 ? 
ATOM   1030 C  C   . GLU   A 1 143 ? -18.344 -26.677 -17.010 1.000 40.986  0 157 GLU   AAA C   1 ? 
ATOM   1031 O  O   . GLU   A 1 143 ? -19.022 -27.244 -17.870 1.000 38.865  0 157 GLU   AAA O   1 ? 
ATOM   1032 C  CB  . GLU   A 1 143 ? -15.860 -26.789 -17.233 1.000 45.240  0 157 GLU   AAA CB  1 ? 
ATOM   1033 C  CG  . GLU   A 1 143 ? -15.835 -27.247 -18.683 1.000 53.341  0 157 GLU   AAA CG  1 ? 
ATOM   1034 C  CD  . GLU   A 1 143 ? -14.774 -26.553 -19.533 1.000 61.742  0 157 GLU   AAA CD  1 ? 
ATOM   1035 O  OE1 . GLU   A 1 143 ? -14.965 -25.342 -19.815 1.000 74.233  0 157 GLU   AAA OE1 1 ? 
ATOM   1036 O  OE2 . GLU   A 1 143 ? -13.734 -27.198 -19.872 1.000 60.384  0 157 GLU   AAA OE2 1 ? 
ATOM   1037 N  N   . VAL   A 1 144 ? -18.650 -25.472 -16.525 1.000 41.315  0 158 VAL   AAA N   1 ? 
ATOM   1038 C  CA  . VAL   A 1 144 ? -19.815 -24.747 -16.982 1.000 39.373  0 158 VAL   AAA CA  1 ? 
ATOM   1039 C  C   . VAL   A 1 144 ? -19.474 -23.261 -17.043 1.000 41.521  0 158 VAL   AAA C   1 ? 
ATOM   1040 O  O   . VAL   A 1 144 ? -18.546 -22.824 -16.366 1.000 38.934  0 158 VAL   AAA O   1 ? 
ATOM   1041 C  CB  . VAL   A 1 144 ? -21.023 -25.032 -16.079 1.000 41.202  0 158 VAL   AAA CB  1 ? 
ATOM   1042 C  CG1 . VAL   A 1 144 ? -20.797 -24.585 -14.630 1.000 37.407  0 158 VAL   AAA CG1 1 ? 
ATOM   1043 C  CG2 . VAL   A 1 144 ? -22.277 -24.414 -16.679 1.000 41.010  0 158 VAL   AAA CG2 1 ? 
ATOM   1044 N  N   . LYS   A 1 145 ? -20.196 -22.539 -17.918 1.000 41.852  0 159 LYS   AAA N   1 ? 
ATOM   1045 C  CA  . LYS   A 1 145 ? -20.143 -21.088 -18.041 1.000 43.958  0 159 LYS   AAA CA  1 ? 
ATOM   1046 C  C   . LYS   A 1 145 ? -21.316 -20.492 -17.281 1.000 39.328  0 159 LYS   AAA C   1 ? 
ATOM   1047 O  O   . LYS   A 1 145 ? -22.448 -20.894 -17.492 1.000 35.907  0 159 LYS   AAA O   1 ? 
ATOM   1048 C  CB  . LYS   A 1 145 ? -20.284 -20.625 -19.498 1.000 50.314  0 159 LYS   AAA CB  1 ? 
ATOM   1049 C  CG  . LYS   A 1 145 ? -19.410 -21.360 -20.512 1.000 58.257  0 159 LYS   AAA CG  1 ? 
ATOM   1050 C  CD  . LYS   A 1 145 ? -19.811 -21.123 -21.965 1.000 69.119  0 159 LYS   AAA CD  1 ? 
ATOM   1051 C  CE  . LYS   A 1 145 ? -18.956 -21.890 -22.954 1.000 79.749  0 159 LYS   AAA CE  1 ? 
ATOM   1052 N  NZ  . LYS   A 1 145 ? -19.306 -21.560 -24.360 1.000 83.731  0 159 LYS   AAA NZ  1 ? 
ATOM   1053 N  N   . LEU   A 1 146 ? -21.023 -19.523 -16.420 1.000 38.426  0 160 LEU   AAA N   1 ? 
ATOM   1054 C  CA  . LEU   A 1 146 ? -22.006 -18.890 -15.563 1.000 38.189  0 160 LEU   AAA CA  1 ? 
ATOM   1055 C  C   . LEU   A 1 146 ? -21.868 -17.386 -15.708 1.000 39.968  0 160 LEU   AAA C   1 ? 
ATOM   1056 O  O   . LEU   A 1 146 ? -20.783 -16.914 -16.030 1.000 36.965  0 160 LEU   AAA O   1 ? 
ATOM   1057 C  CB  . LEU   A 1 146 ? -21.726 -19.287 -14.115 1.000 36.962  0 160 LEU   AAA CB  1 ? 
ATOM   1058 C  CG  . LEU   A 1 146 ? -21.818 -20.778 -13.807 1.000 39.686  0 160 LEU   AAA CG  1 ? 
ATOM   1059 C  CD1 . LEU   A 1 146 ? -21.592 -21.035 -12.318 1.000 43.150  0 160 LEU   AAA CD1 1 ? 
ATOM   1060 C  CD2 . LEU   A 1 146 ? -23.152 -21.331 -14.245 1.000 41.497  0 160 LEU   AAA CD2 1 ? 
ATOM   1061 N  N   . ARG   A 1 147 ? -22.961 -16.658 -15.448 1.000 40.073  0 161 ARG   AAA N   1 ? 
ATOM   1062 C  CA  . ARG   A 1 147 ? -22.942 -15.211 -15.526 1.000 47.377  0 161 ARG   AAA CA  1 ? 
ATOM   1063 C  C   . ARG   A 1 147 ? -22.621 -14.639 -14.147 1.000 45.861  0 161 ARG   AAA C   1 ? 
ATOM   1064 O  O   . ARG   A 1 147 ? -23.206 -15.045 -13.152 1.000 44.753  0 161 ARG   AAA O   1 ? 
ATOM   1065 C  CB  . ARG   A 1 147 ? -24.281 -14.654 -16.047 1.000 53.133  0 161 ARG   AAA CB  1 ? 
ATOM   1066 C  CG  . ARG   A 1 147 ? -24.193 -13.261 -16.663 1.000 52.175  0 161 ARG   AAA CG  1 ? 
ATOM   1067 C  CD  . ARG   A 1 147 ? -25.499 -12.760 -17.277 1.000 57.636  0 161 ARG   AAA CD  1 ? 
ATOM   1068 N  NE  . ARG   A 1 147 ? -26.160 -11.893 -16.325 1.000 65.500  0 161 ARG   AAA NE  1 ? 
ATOM   1069 C  CZ  . ARG   A 1 147 ? -26.427 -10.608 -16.507 1.000 70.980  0 161 ARG   AAA CZ  1 ? 
ATOM   1070 N  NH1 . ARG   A 1 147 ? -26.632 -10.127 -17.720 1.000 74.777  0 161 ARG   AAA NH1 1 ? 
ATOM   1071 N  NH2 . ARG   A 1 147 ? -26.592 -9.830  -15.451 1.000 76.422  0 161 ARG   AAA NH2 1 ? 
ATOM   1072 N  N   . LEU   A 1 148 ? -21.734 -13.642 -14.134 1.000 47.629  0 162 LEU   AAA N   1 ? 
ATOM   1073 C  CA  . LEU   A 1 148 ? -21.501 -12.788 -12.986 1.000 48.487  0 162 LEU   AAA CA  1 ? 
ATOM   1074 C  C   . LEU   A 1 148 ? -22.666 -11.802 -12.838 1.000 46.379  0 162 LEU   AAA C   1 ? 
ATOM   1075 O  O   . LEU   A 1 148 ? -22.976 -11.060 -13.769 1.000 47.453  0 162 LEU   AAA O   1 ? 
ATOM   1076 C  CB  . LEU   A 1 148 ? -20.173 -12.071 -13.235 1.000 53.375  0 162 LEU   AAA CB  1 ? 
ATOM   1077 C  CG  . LEU   A 1 148 ? -19.443 -11.568 -11.996 1.000 57.836  0 162 LEU   AAA CG  1 ? 
ATOM   1078 C  CD1 . LEU   A 1 148 ? -18.765 -12.731 -11.280 1.000 59.568  0 162 LEU   AAA CD1 1 ? 
ATOM   1079 C  CD2 . LEU   A 1 148 ? -18.424 -10.498 -12.384 1.000 60.376  0 162 LEU   AAA CD2 1 ? 
ATOM   1080 N  N   . MET   A 1 149 ? -23.305 -11.800 -11.659 1.000 40.036  0 163 MET   AAA N   1 ? 
ATOM   1081 C  CA  . MET   A 1 149 ? -24.536 -11.068 -11.443 1.000 40.736  0 163 MET   AAA CA  1 ? 
ATOM   1082 C  C   . MET   A 1 149 ? -24.266 -9.850  -10.557 1.000 42.216  0 163 MET   AAA C   1 ? 
ATOM   1083 O  O   . MET   A 1 149 ? -23.346 -9.837  -9.748  1.000 45.300  0 163 MET   AAA O   1 ? 
ATOM   1084 C  CB  . MET   A 1 149 ? -25.562 -11.961 -10.744 1.000 41.337  0 163 MET   AAA CB  1 ? 
ATOM   1085 C  CG  . MET   A 1 149 ? -25.858 -13.278 -11.459 1.000 45.463  0 163 MET   AAA CG  1 ? 
ATOM   1086 S  SD  . MET   A 1 149 ? -26.732 -13.159 -13.018 1.000 45.274  0 163 MET   AAA SD  1 ? 
ATOM   1087 C  CE  . MET   A 1 149 ? -28.232 -12.316 -12.523 1.000 43.776  0 163 MET   AAA CE  1 ? 
ATOM   1088 N  N   . ASP   A 1 150 ? -25.091 -8.824  -10.716 1.000 39.723  0 164 ASP   AAA N   1 ? 
ATOM   1089 C  CA  . ASP   A 1 150 ? -25.102 -7.704  -9.798  1.000 44.140  0 164 ASP   AAA CA  1 ? 
ATOM   1090 C  C   . ASP   A 1 150 ? -25.465 -8.222  -8.418  1.000 42.460  0 164 ASP   AAA C   1 ? 
ATOM   1091 O  O   . ASP   A 1 150 ? -26.245 -9.155  -8.316  1.000 41.847  0 164 ASP   AAA O   1 ? 
ATOM   1092 C  CB  . ASP   A 1 150 ? -26.126 -6.647  -10.214 1.000 47.298  0 164 ASP   AAA CB  1 ? 
ATOM   1093 C  CG  . ASP   A 1 150 ? -25.799 -6.042  -11.568 1.000 51.633  0 164 ASP   AAA CG  1 ? 
ATOM   1094 O  OD1 . ASP   A 1 150 ? -24.634 -5.595  -11.752 1.000 51.346  0 164 ASP   AAA OD1 1 ? 
ATOM   1095 O  OD2 . ASP   A 1 150 ? -26.696 -6.033  -12.417 1.000 54.109  0 164 ASP   AAA OD2 1 ? 
ATOM   1096 N  N   . PRO   A 1 151 ? -24.951 -7.585  -7.346  1.000 36.644  0 165 PRO   AAA N   1 ? 
ATOM   1097 C  CA  . PRO   A 1 151 ? -25.041 -8.146  -6.006  1.000 36.733  0 165 PRO   AAA CA  1 ? 
ATOM   1098 C  C   . PRO   A 1 151 ? -26.465 -8.293  -5.461  1.000 39.860  0 165 PRO   AAA C   1 ? 
ATOM   1099 O  O   . PRO   A 1 151 ? -26.713 -9.178  -4.638  1.000 36.899  0 165 PRO   AAA O   1 ? 
ATOM   1100 C  CB  . PRO   A 1 151 ? -24.204 -7.182  -5.159  1.000 34.978  0 165 PRO   AAA CB  1 ? 
ATOM   1101 C  CG  . PRO   A 1 151 ? -24.235 -5.868  -5.935  1.000 35.960  0 165 PRO   AAA CG  1 ? 
ATOM   1102 C  CD  . PRO   A 1 151 ? -24.249 -6.287  -7.391  1.000 37.260  0 165 PRO   AAA CD  1 ? 
ATOM   1103 N  N   . GLN   A 1 152 ? -27.415 -7.496  -5.963  1.000 35.833  0 166 GLN   AAA N   1 ? 
ATOM   1104 C  CA  . GLN   A 1 152 ? -28.799 -7.635  -5.527  1.000 39.239  0 166 GLN   AAA CA  1 ? 
ATOM   1105 C  C   . GLN   A 1 152 ? -29.352 -9.025  -5.869  1.000 36.689  0 166 GLN   AAA C   1 ? 
ATOM   1106 O  O   . GLN   A 1 152 ? -30.330 -9.465  -5.275  1.000 30.580  0 166 GLN   AAA O   1 ? 
ATOM   1107 C  CB  . GLN   A 1 152 ? -29.708 -6.537  -6.089  1.000 38.865  0 166 GLN   AAA CB  1 ? 
ATOM   1108 C  CG  . GLN   A 1 152 ? -29.928 -6.631  -7.581  1.000 48.314  0 166 GLN   AAA CG  1 ? 
ATOM   1109 C  CD  . GLN   A 1 152 ? -30.601 -5.404  -8.156  1.000 63.013  0 166 GLN   AAA CD  1 ? 
ATOM   1110 O  OE1 . GLN   A 1 152 ? -31.629 -4.928  -7.651  1.000 69.490  0 166 GLN   AAA OE1 1 ? 
ATOM   1111 N  NE2 . GLN   A 1 152 ? -30.026 -4.890  -9.237  1.000 59.099  0 166 GLN   AAA NE2 1 ? 
ATOM   1112 N  N   . ALA   A 1 153 ? -28.740 -9.717  -6.835  1.000 38.055  0 167 ALA   AAA N   1 ? 
ATOM   1113 C  CA  . ALA   A 1 153 ? -29.212 -11.044 -7.203  1.000 36.841  0 167 ALA   AAA CA  1 ? 
ATOM   1114 C  C   . ALA   A 1 153 ? -28.948 -12.039 -6.063  1.000 36.070  0 167 ALA   AAA C   1 ? 
ATOM   1115 O  O   . ALA   A 1 153 ? -29.711 -12.990 -5.940  1.000 34.041  0 167 ALA   AAA O   1 ? 
ATOM   1116 C  CB  . ALA   A 1 153 ? -28.597 -11.470 -8.505  1.000 34.494  0 167 ALA   AAA CB  1 ? 
ATOM   1117 N  N   . CYS   A 1 154 ? -27.941 -11.769 -5.199  1.000 32.435  0 168 CYS   AAA N   1 ? 
ATOM   1118 C  CA  . CYS   A 1 154 ? -27.621 -12.625 -4.059  1.000 31.949  0 168 CYS   AAA CA  1 ? 
ATOM   1119 C  C   . CYS   A 1 154 ? -28.099 -12.077 -2.697  1.000 33.257  0 168 CYS   AAA C   1 ? 
ATOM   1120 O  O   . CYS   A 1 154 ? -27.657 -12.549 -1.644  1.000 33.293  0 168 CYS   AAA O   1 ? 
ATOM   1121 C  CB  . CYS   A 1 154 ? -26.121 -12.894 -4.018  1.000 31.417  0 168 CYS   AAA CB  1 ? 
ATOM   1122 S  SG  . CYS   A 1 154 ? -25.562 -14.087 -5.257  1.000 35.002  0 168 CYS   AAA SG  1 ? 
ATOM   1123 N  N   . SER   A 1 155 ? -29.080 -11.166 -2.689  1.000 33.501  0 169 SER   AAA N   1 ? 
ATOM   1124 C  CA  . SER   A 1 155 ? -29.545 -10.513 -1.474  1.000 33.012  0 169 SER   AAA CA  1 ? 
ATOM   1125 C  C   . SER   A 1 155 ? -30.192 -11.473 -0.476  1.000 33.157  0 169 SER   AAA C   1 ? 
ATOM   1126 O  O   . SER   A 1 155 ? -30.097 -11.271 0.740   1.000 29.432  0 169 SER   AAA O   1 ? 
ATOM   1127 C  CB  . SER   A 1 155 ? -30.519 -9.404  -1.806  1.000 35.823  0 169 SER   AAA CB  1 ? 
ATOM   1128 O  OG  . SER   A 1 155 ? -30.940 -8.771  -0.601  1.000 36.241  0 169 SER   AAA OG  1 ? 
ATOM   1129 N  N   . HIS   A 1 156 ? -30.940 -12.453 -0.992  1.000 31.812  0 172 HIS   AAA N   1 ? 
ATOM   1130 C  CA  . HIS   A 1 156 ? -31.577 -13.468 -0.168  1.000 32.133  0 172 HIS   AAA CA  1 ? 
ATOM   1131 C  C   . HIS   A 1 156 ? -30.599 -14.243 0.734   1.000 33.759  0 172 HIS   AAA C   1 ? 
ATOM   1132 O  O   . HIS   A 1 156 ? -31.010 -14.872 1.713   1.000 31.604  0 172 HIS   AAA O   1 ? 
ATOM   1133 C  CB  . HIS   A 1 156 ? -32.385 -14.434 -1.040  1.000 33.894  0 172 HIS   AAA CB  1 ? 
ATOM   1134 C  CG  . HIS   A 1 156 ? -31.653 -15.091 -2.180  1.000 33.667  0 172 HIS   AAA CG  1 ? 
ATOM   1135 N  ND1 . HIS   A 1 156 ? -31.270 -14.440 -3.334  1.000 31.651  0 172 HIS   AAA ND1 1 ? 
ATOM   1136 C  CD2 . HIS   A 1 156 ? -31.243 -16.369 -2.309  1.000 33.933  0 172 HIS   AAA CD2 1 ? 
ATOM   1137 C  CE1 . HIS   A 1 156 ? -30.648 -15.304 -4.135  1.000 37.486  0 172 HIS   AAA CE1 1 ? 
ATOM   1138 N  NE2 . HIS   A 1 156 ? -30.630 -16.492 -3.537  1.000 34.844  0 172 HIS   AAA NE2 1 ? 
ATOM   1139 N  N   . PHE   A 1 157 ? -29.314 -14.302 0.360   1.000 36.094  0 173 PHE   AAA N   1 ? 
ATOM   1140 C  CA  . PHE   A 1 157 ? -28.270 -14.804 1.239   1.000 30.043  0 173 PHE   AAA CA  1 ? 
ATOM   1141 C  C   . PHE   A 1 157 ? -27.900 -13.644 2.149   1.000 31.996  0 173 PHE   AAA C   1 ? 
ATOM   1142 O  O   . PHE   A 1 157 ? -27.247 -12.694 1.710   1.000 29.443  0 173 PHE   AAA O   1 ? 
ATOM   1143 C  CB  . PHE   A 1 157 ? -27.025 -15.214 0.450   1.000 30.488  0 173 PHE   AAA CB  1 ? 
ATOM   1144 C  CG  . PHE   A 1 157 ? -27.201 -16.321 -0.557  1.000 30.564  0 173 PHE   AAA CG  1 ? 
ATOM   1145 C  CD1 . PHE   A 1 157 ? -27.390 -17.636 -0.142  1.000 33.215  0 173 PHE   AAA CD1 1 ? 
ATOM   1146 C  CD2 . PHE   A 1 157 ? -27.064 -16.076 -1.916  1.000 29.085  0 173 PHE   AAA CD2 1 ? 
ATOM   1147 C  CE1 . PHE   A 1 157 ? -27.540 -18.655 -1.070  1.000 30.104  0 173 PHE   AAA CE1 1 ? 
ATOM   1148 C  CE2 . PHE   A 1 157 ? -27.216 -17.101 -2.843  1.000 31.143  0 173 PHE   AAA CE2 1 ? 
ATOM   1149 C  CZ  . PHE   A 1 157 ? -27.446 -18.390 -2.418  1.000 31.777  0 173 PHE   AAA CZ  1 ? 
ATOM   1150 N  N   . ARG   A 1 158 ? -28.355 -13.713 3.401   1.000 33.157  0 174 ARG   AAA N   1 ? 
ATOM   1151 C  CA  . ARG   A 1 158 ? -28.473 -12.530 4.226   1.000 38.415  0 174 ARG   AAA CA  1 ? 
ATOM   1152 C  C   . ARG   A 1 158 ? -27.080 -12.011 4.594   1.000 38.220  0 174 ARG   AAA C   1 ? 
ATOM   1153 O  O   . ARG   A 1 158 ? -26.938 -10.827 4.903   1.000 42.995  0 174 ARG   AAA O   1 ? 
ATOM   1154 C  CB  . ARG   A 1 158 ? -29.342 -12.802 5.472   1.000 40.594  0 174 ARG   AAA CB  1 ? 
ATOM   1155 C  CG  . ARG   A 1 158 ? -30.840 -12.980 5.222   1.000 45.148  0 174 ARG   AAA CG  1 ? 
ATOM   1156 C  CD  . ARG   A 1 158 ? -31.573 -11.646 5.078   1.000 50.732  0 174 ARG   AAA CD  1 ? 
ATOM   1157 N  NE  . ARG   A 1 158 ? -31.901 -11.325 3.698   1.000 47.950  0 174 ARG   AAA NE  1 ? 
ATOM   1158 C  CZ  . ARG   A 1 158 ? -32.331 -10.148 3.247   1.000 48.495  0 174 ARG   AAA CZ  1 ? 
ATOM   1159 N  NH1 . ARG   A 1 158 ? -32.148 -9.047  3.950   1.000 41.179  0 174 ARG   AAA NH1 1 ? 
ATOM   1160 N  NH2 . ARG   A 1 158 ? -32.880 -10.068 2.038   1.000 54.988  0 174 ARG   AAA NH2 1 ? 
ATOM   1161 N  N   . ASP   A 1 159 ? -26.073 -12.893 4.625   1.000 36.954  0 175 ASP   AAA N   1 ? 
ATOM   1162 C  CA  . ASP   A 1 159 ? -24.733 -12.519 5.063   1.000 34.296  0 175 ASP   AAA CA  1 ? 
ATOM   1163 C  C   . ASP   A 1 159 ? -23.779 -12.403 3.880   1.000 31.480  0 175 ASP   AAA C   1 ? 
ATOM   1164 O  O   . ASP   A 1 159 ? -22.573 -12.259 4.064   1.000 32.559  0 175 ASP   AAA O   1 ? 
ATOM   1165 C  CB  . ASP   A 1 159 ? -24.222 -13.509 6.109   1.000 39.081  0 175 ASP   AAA CB  1 ? 
ATOM   1166 C  CG  . ASP   A 1 159 ? -25.001 -13.407 7.412   1.000 43.300  0 175 ASP   AAA CG  1 ? 
ATOM   1167 O  OD1 . ASP   A 1 159 ? -25.073 -12.295 7.966   1.000 46.674  0 175 ASP   AAA OD1 1 ? 
ATOM   1168 O  OD2 . ASP   A 1 159 ? -25.528 -14.423 7.856   1.000 47.658  0 175 ASP   AAA OD2 1 ? 
ATOM   1169 N  N   . PHE   A 1 160 ? -24.315 -12.446 2.657   1.000 29.846  0 176 PHE   AAA N   1 ? 
ATOM   1170 C  CA  . PHE   A 1 160 ? -23.533 -12.134 1.471   1.000 33.778  0 176 PHE   AAA CA  1 ? 
ATOM   1171 C  C   . PHE   A 1 160 ? -23.101 -10.674 1.497   1.000 36.625  0 176 PHE   AAA C   1 ? 
ATOM   1172 O  O   . PHE   A 1 160 ? -23.862 -9.816  1.963   1.000 38.536  0 176 PHE   AAA O   1 ? 
ATOM   1173 C  CB  . PHE   A 1 160 ? -24.370 -12.375 0.220   1.000 34.409  0 176 PHE   AAA CB  1 ? 
ATOM   1174 C  CG  . PHE   A 1 160 ? -23.805 -11.830 -1.063  1.000 35.246  0 176 PHE   AAA CG  1 ? 
ATOM   1175 C  CD1 . PHE   A 1 160 ? -24.187 -10.572 -1.503  1.000 37.318  0 176 PHE   AAA CD1 1 ? 
ATOM   1176 C  CD2 . PHE   A 1 160 ? -22.992 -12.599 -1.879  1.000 33.275  0 176 PHE   AAA CD2 1 ? 
ATOM   1177 C  CE1 . PHE   A 1 160 ? -23.712 -10.065 -2.699  1.000 35.910  0 176 PHE   AAA CE1 1 ? 
ATOM   1178 C  CE2 . PHE   A 1 160 ? -22.499 -12.072 -3.064  1.000 34.730  0 176 PHE   AAA CE2 1 ? 
ATOM   1179 C  CZ  . PHE   A 1 160 ? -22.874 -10.820 -3.480  1.000 34.004  0 176 PHE   AAA CZ  1 ? 
ATOM   1180 N  N   . ASP   A 1 161 ? -21.895 -10.403 0.981   1.000 34.149  0 177 ASP   AAA N   1 ? 
ATOM   1181 C  CA  . ASP   A 1 161 ? -21.358 -9.055  1.000   1.000 36.286  0 177 ASP   AAA CA  1 ? 
ATOM   1182 C  C   . ASP   A 1 161 ? -20.562 -8.810  -0.279  1.000 35.978  0 177 ASP   AAA C   1 ? 
ATOM   1183 O  O   . ASP   A 1 161 ? -19.605 -9.529  -0.588  1.000 36.531  0 177 ASP   AAA O   1 ? 
ATOM   1184 C  CB  . ASP   A 1 161 ? -20.565 -8.824  2.288   1.000 40.231  0 177 ASP   AAA CB  1 ? 
ATOM   1185 C  CG  . ASP   A 1 161 ? -19.899 -7.457  2.402   1.000 39.310  0 177 ASP   AAA CG  1 ? 
ATOM   1186 O  OD1 . ASP   A 1 161 ? -19.684 -6.815  1.368   1.000 36.736  0 177 ASP   AAA OD1 1 ? 
ATOM   1187 O  OD2 . ASP   A 1 161 ? -19.568 -7.073  3.537   1.000 40.042  0 177 ASP   AAA OD2 1 ? 
ATOM   1188 N  N   . HIS   A 1 162 A -20.949 -7.743  -0.980  1.000 34.899  0 177 HIS   AAA N   1 ? 
ATOM   1189 C  CA  . HIS   A 1 162 A -20.466 -7.450  -2.320  1.000 41.429  0 177 HIS   AAA CA  1 ? 
ATOM   1190 C  C   . HIS   A 1 162 A -18.954 -7.196  -2.349  1.000 42.813  0 177 HIS   AAA C   1 ? 
ATOM   1191 O  O   . HIS   A 1 162 A -18.332 -7.581  -3.330  1.000 47.693  0 177 HIS   AAA O   1 ? 
ATOM   1192 C  CB  . HIS   A 1 162 A -21.290 -6.303  -2.913  1.000 39.647  0 177 HIS   AAA CB  1 ? 
ATOM   1193 C  CG  . HIS   A 1 162 A -20.861 -5.747  -4.231  1.000 39.476  0 177 HIS   AAA CG  1 ? 
ATOM   1194 N  ND1 . HIS   A 1 162 A -20.670 -6.484  -5.390  1.000 41.426  0 177 HIS   AAA ND1 1 ? 
ATOM   1195 C  CD2 . HIS   A 1 162 A -20.688 -4.449  -4.564  1.000 37.497  0 177 HIS   AAA CD2 1 ? 
ATOM   1196 C  CE1 . HIS   A 1 162 A -20.350 -5.651  -6.378  1.000 39.663  0 177 HIS   AAA CE1 1 ? 
ATOM   1197 N  NE2 . HIS   A 1 162 A -20.358 -4.404  -5.897  1.000 40.157  0 177 HIS   AAA NE2 1 ? 
ATOM   1198 N  N   . ASN   A 1 163 ? -18.375 -6.542  -1.322  1.000 40.102  0 178 ASN   AAA N   1 ? 
ATOM   1199 C  CA  . ASN   A 1 163 ? -16.925 -6.360  -1.255  1.000 47.282  0 178 ASN   AAA CA  1 ? 
ATOM   1200 C  C   . ASN   A 1 163 ? -16.156 -7.670  -1.097  1.000 42.547  0 178 ASN   AAA C   1 ? 
ATOM   1201 O  O   . ASN   A 1 163 ? -14.999 -7.707  -1.494  1.000 42.684  0 178 ASN   AAA O   1 ? 
ATOM   1202 C  CB  . ASN   A 1 163 ? -16.427 -5.556  -0.050  1.000 50.393  0 178 ASN   AAA CB  1 ? 
ATOM   1203 C  CG  . ASN   A 1 163 ? -16.996 -4.163  -0.030  1.000 59.362  0 178 ASN   AAA CG  1 ? 
ATOM   1204 O  OD1 . ASN   A 1 163 ? -16.930 -3.457  -1.034  1.000 71.103  0 178 ASN   AAA OD1 1 ? 
ATOM   1205 N  ND2 . ASN   A 1 163 ? -17.599 -3.791  1.085   1.000 59.423  0 178 ASN   AAA ND2 1 ? 
ATOM   1206 N  N   . LEU   A 1 164 ? -16.766 -8.677  -0.444  1.000 37.952  0 179 LEU   AAA N   1 ? 
ATOM   1207 C  CA  . LEU   A 1 164 ? -16.085 -9.901  -0.067  1.000 37.641  0 179 LEU   AAA CA  1 ? 
ATOM   1208 C  C   . LEU   A 1 164 ? -16.246 -10.985 -1.121  1.000 37.381  0 179 LEU   AAA C   1 ? 
ATOM   1209 O  O   . LEU   A 1 164 ? -15.454 -11.914 -1.128  1.000 38.441  0 179 LEU   AAA O   1 ? 
ATOM   1210 C  CB  . LEU   A 1 164 ? -16.671 -10.444 1.236   1.000 37.707  0 179 LEU   AAA CB  1 ? 
ATOM   1211 C  CG  . LEU   A 1 164 ? -16.644 -9.501  2.431   1.000 40.952  0 179 LEU   AAA CG  1 ? 
ATOM   1212 C  CD1 . LEU   A 1 164 ? -16.944 -10.261 3.717   1.000 38.576  0 179 LEU   AAA CD1 1 ? 
ATOM   1213 C  CD2 . LEU   A 1 164 ? -15.309 -8.773  2.533   1.000 44.355  0 179 LEU   AAA CD2 1 ? 
ATOM   1214 N  N   . GLN   A 1 165 ? -17.322 -10.921 -1.922  1.000 39.523  0 180 GLN   AAA N   1 ? 
ATOM   1215 C  CA  . GLN   A 1 165 ? -17.876 -12.086 -2.604  1.000 32.936  0 180 GLN   AAA CA  1 ? 
ATOM   1216 C  C   . GLN   A 1 165 ? -18.502 -11.708 -3.951  1.000 32.270  0 180 GLN   AAA C   1 ? 
ATOM   1217 O  O   . GLN   A 1 165 ? -18.995 -10.599 -4.110  1.000 38.160  0 180 GLN   AAA O   1 ? 
ATOM   1218 C  CB  . GLN   A 1 165 ? -18.970 -12.696 -1.731  1.000 33.043  0 180 GLN   AAA CB  1 ? 
ATOM   1219 C  CG  . GLN   A 1 165 ? -18.497 -13.456 -0.502  1.000 33.578  0 180 GLN   AAA CG  1 ? 
ATOM   1220 C  CD  . GLN   A 1 165 ? -19.576 -13.501 0.552   1.000 35.044  0 180 GLN   AAA CD  1 ? 
ATOM   1221 O  OE1 . GLN   A 1 165 ? -20.414 -12.607 0.626   1.000 38.420  0 180 GLN   AAA OE1 1 ? 
ATOM   1222 N  NE2 . GLN   A 1 165 ? -19.546 -14.516 1.403   1.000 34.065  0 180 GLN   AAA NE2 1 ? 
ATOM   1223 N  N   . LEU   A 1 166 ? -18.494 -12.651 -4.902  1.000 33.886  0 181 LEU   AAA N   1 ? 
ATOM   1224 C  CA  . LEU   A 1 166 ? -19.165 -12.525 -6.188  1.000 33.433  0 181 LEU   AAA CA  1 ? 
ATOM   1225 C  C   . LEU   A 1 166 ? -20.490 -13.275 -6.168  1.000 32.206  0 181 LEU   AAA C   1 ? 
ATOM   1226 O  O   . LEU   A 1 166 ? -20.635 -14.299 -5.509  1.000 36.868  0 181 LEU   AAA O   1 ? 
ATOM   1227 C  CB  . LEU   A 1 166 ? -18.275 -13.090 -7.294  1.000 34.012  0 181 LEU   AAA CB  1 ? 
ATOM   1228 C  CG  . LEU   A 1 166 ? -16.876 -12.472 -7.368  1.000 41.358  0 181 LEU   AAA CG  1 ? 
ATOM   1229 C  CD1 . LEU   A 1 166 ? -15.954 -13.266 -8.290  1.000 43.179  0 181 LEU   AAA CD1 1 ? 
ATOM   1230 C  CD2 . LEU   A 1 166 ? -16.963 -11.034 -7.814  1.000 42.402  0 181 LEU   AAA CD2 1 ? 
ATOM   1231 N  N   . CYS   A 1 167 ? -21.437 -12.755 -6.941  1.000 30.641  0 182 CYS   AAA N   1 ? 
ATOM   1232 C  CA  . CYS   A 1 167 ? -22.732 -13.367 -7.144  1.000 31.399  0 182 CYS   AAA CA  1 ? 
ATOM   1233 C  C   . CYS   A 1 167 ? -22.739 -13.983 -8.535  1.000 35.167  0 182 CYS   AAA C   1 ? 
ATOM   1234 O  O   . CYS   A 1 167 ? -22.576 -13.244 -9.515  1.000 36.136  0 182 CYS   AAA O   1 ? 
ATOM   1235 C  CB  . CYS   A 1 167 ? -23.836 -12.327 -7.032  1.000 29.938  0 182 CYS   AAA CB  1 ? 
ATOM   1236 S  SG  . CYS   A 1 167 ? -25.471 -13.083 -7.022  1.000 32.067  0 182 CYS   AAA SG  1 ? 
ATOM   1237 N  N   . VAL   A 1 168 ? -22.886 -15.322 -8.598  1.000 33.572  0 183 VAL   AAA N   1 ? 
ATOM   1238 C  CA  . VAL   A 1 168 ? -22.531 -16.082 -9.787  1.000 33.572  0 183 VAL   AAA CA  1 ? 
ATOM   1239 C  C   . VAL   A 1 168 ? -23.646 -17.061 -10.148 1.000 37.749  0 183 VAL   AAA C   1 ? 
ATOM   1240 O  O   . VAL   A 1 168 ? -23.995 -17.942 -9.362  1.000 37.660  0 183 VAL   AAA O   1 ? 
ATOM   1241 C  CB  . VAL   A 1 168 ? -21.198 -16.821 -9.601  1.000 35.167  0 183 VAL   AAA CB  1 ? 
ATOM   1242 C  CG1 . VAL   A 1 168 ? -20.822 -17.597 -10.866 1.000 34.680  0 183 VAL   AAA CG1 1 ? 
ATOM   1243 C  CG2 . VAL   A 1 168 ? -20.078 -15.865 -9.195  1.000 34.838  0 183 VAL   AAA CG2 1 ? 
ATOM   1244 N  N   . GLY   A 1 169 ? -24.210 -16.875 -11.348 1.000 37.057  0 184 GLY   AAA N   1 ? 
ATOM   1245 C  CA  . GLY   A 1 169 ? -25.171 -17.810 -11.899 1.000 37.086  0 184 GLY   AAA CA  1 ? 
ATOM   1246 C  C   . GLY   A 1 169 ? -26.531 -17.176 -12.137 1.000 34.909  0 184 GLY   AAA C   1 ? 
ATOM   1247 O  O   . GLY   A 1 169 ? -27.244 -16.886 -11.197 1.000 36.791  0 184 GLY   AAA O   1 ? 
ATOM   1248 N  N   . ASN   A 1 170 ? -26.865 -16.975 -13.413 1.000 37.210  0 185 ASN   AAA N   1 ? 
ATOM   1249 C  CA  . ASN   A 1 170 ? -28.186 -16.562 -13.841 1.000 39.328  0 185 ASN   AAA CA  1 ? 
ATOM   1250 C  C   . ASN   A 1 170 ? -29.267 -17.431 -13.197 1.000 40.521  0 185 ASN   AAA C   1 ? 
ATOM   1251 O  O   . ASN   A 1 170 ? -29.319 -18.641 -13.428 1.000 39.786  0 185 ASN   AAA O   1 ? 
ATOM   1252 C  CB  . ASN   A 1 170 ? -28.302 -16.642 -15.365 1.000 42.847  0 185 ASN   AAA CB  1 ? 
ATOM   1253 C  CG  . ASN   A 1 170 ? -29.530 -15.975 -15.957 1.000 41.810  0 185 ASN   AAA CG  1 ? 
ATOM   1254 O  OD1 . ASN   A 1 170 ? -30.558 -15.807 -15.300 1.000 40.705  0 185 ASN   AAA OD1 1 ? 
ATOM   1255 N  ND2 . ASN   A 1 170 ? -29.435 -15.627 -17.230 1.000 43.603  0 185 ASN   AAA ND2 1 ? 
ATOM   1256 N  N   . PRO   A 1 171 A -30.195 -16.823 -12.415 1.000 42.700  0 185 PRO   AAA N   1 ? 
ATOM   1257 C  CA  . PRO   A 1 171 A -31.288 -17.558 -11.783 1.000 42.766  0 185 PRO   AAA CA  1 ? 
ATOM   1258 C  C   . PRO   A 1 171 A -32.337 -18.111 -12.739 1.000 42.142  0 185 PRO   AAA C   1 ? 
ATOM   1259 O  O   . PRO   A 1 171 A -33.131 -18.943 -12.328 1.000 38.305  0 185 PRO   AAA O   1 ? 
ATOM   1260 C  CB  . PRO   A 1 171 A -31.980 -16.545 -10.855 1.000 43.142  0 185 PRO   AAA CB  1 ? 
ATOM   1261 C  CG  . PRO   A 1 171 A -31.565 -15.186 -11.379 1.000 46.700  0 185 PRO   AAA CG  1 ? 
ATOM   1262 C  CD  . PRO   A 1 171 A -30.220 -15.389 -12.062 1.000 44.263  0 185 PRO   AAA CD  1 ? 
ATOM   1263 N  N   . ARG   A 1 172 B -32.320 -17.656 -13.998 1.000 47.421  0 185 ARG   AAA N   1 ? 
ATOM   1264 C  CA  . ARG   A 1 172 B -33.216 -18.172 -15.023 1.000 48.324  0 185 ARG   AAA CA  1 ? 
ATOM   1265 C  C   . ARG   A 1 172 B -32.737 -19.497 -15.617 1.000 49.006  0 185 ARG   AAA C   1 ? 
ATOM   1266 O  O   . ARG   A 1 172 B -33.454 -20.065 -16.428 1.000 55.878  0 185 ARG   AAA O   1 ? 
ATOM   1267 C  CB  . ARG   A 1 172 B -33.380 -17.161 -16.160 1.000 47.306  0 185 ARG   AAA CB  1 ? 
ATOM   1268 C  CG  . ARG   A 1 172 B -34.780 -16.579 -16.255 1.000 51.698  0 185 ARG   AAA CG  1 ? 
ATOM   1269 C  CD  . ARG   A 1 172 B -34.901 -15.750 -17.515 1.000 55.562  0 185 ARG   AAA CD  1 ? 
ATOM   1270 N  NE  . ARG   A 1 172 B -36.112 -16.008 -18.281 1.000 56.091  0 185 ARG   AAA NE  1 ? 
ATOM   1271 C  CZ  . ARG   A 1 172 B -36.106 -16.367 -19.563 1.000 63.168  0 185 ARG   AAA CZ  1 ? 
ATOM   1272 N  NH1 . ARG   A 1 172 B -34.953 -16.580 -20.187 1.000 62.889  0 185 ARG   AAA NH1 1 ? 
ATOM   1273 N  NH2 . ARG   A 1 172 B -37.252 -16.533 -20.207 1.000 58.681  0 185 ARG   AAA NH2 1 ? 
ATOM   1274 N  N   . LYS   A 1 173 ? -31.512 -19.949 -15.295 1.000 50.956  0 186 LYS   AAA N   1 ? 
ATOM   1275 C  CA  . LYS   A 1 173 ? -30.945 -21.166 -15.874 1.000 50.848  0 186 LYS   AAA CA  1 ? 
ATOM   1276 C  C   . LYS   A 1 173 ? -30.701 -22.196 -14.769 1.000 52.662  0 186 LYS   AAA C   1 ? 
ATOM   1277 O  O   . LYS   A 1 173 ? -30.771 -21.857 -13.587 1.000 53.064  0 186 LYS   AAA O   1 ? 
ATOM   1278 C  CB  . LYS   A 1 173 ? -29.601 -20.870 -16.548 1.000 54.106  0 186 LYS   AAA CB  1 ? 
ATOM   1279 C  CG  . LYS   A 1 173 ? -29.575 -19.717 -17.529 1.000 53.859  0 186 LYS   AAA CG  1 ? 
ATOM   1280 C  CD  . LYS   A 1 173 ? -29.631 -20.115 -18.956 1.000 58.546  0 186 LYS   AAA CD  1 ? 
ATOM   1281 C  CE  . LYS   A 1 173 ? -29.990 -18.938 -19.835 1.000 64.650  0 186 LYS   AAA CE  1 ? 
ATOM   1282 N  NZ  . LYS   A 1 173 ? -30.415 -19.379 -21.179 1.000 70.398  0 186 LYS   AAA NZ  1 ? 
ATOM   1283 N  N   . THR   A 1 174 ? -30.390 -23.446 -15.151 1.000 52.343  0 187 THR   AAA N   1 ? 
ATOM   1284 C  CA  . THR   A 1 174 ? -30.076 -24.496 -14.179 1.000 52.480  0 187 THR   AAA CA  1 ? 
ATOM   1285 C  C   . THR   A 1 174 ? -28.587 -24.519 -13.830 1.000 48.116  0 187 THR   AAA C   1 ? 
ATOM   1286 O  O   . THR   A 1 174 ? -28.235 -24.867 -12.710 1.000 47.893  0 187 THR   AAA O   1 ? 
ATOM   1287 C  CB  . THR   A 1 174 ? -30.489 -25.889 -14.672 1.000 50.422  0 187 THR   AAA CB  1 ? 
ATOM   1288 O  OG1 . THR   A 1 174 ? -29.729 -26.184 -15.849 1.000 60.741  0 187 THR   AAA OG1 1 ? 
ATOM   1289 C  CG2 . THR   A 1 174 ? -31.971 -25.979 -14.946 1.000 56.099  0 187 THR   AAA CG2 1 ? 
ATOM   1290 N  N   . LYS   A 1 175 ? -27.736 -24.166 -14.800 1.000 46.600  0 188 LYS   AAA N   1 ? 
ATOM   1291 C  CA  . LYS   A 1 175 ? -26.290 -24.264 -14.691 1.000 49.227  0 188 LYS   AAA CA  1 ? 
ATOM   1292 C  C   . LYS   A 1 175 ? -25.801 -23.639 -13.389 1.000 45.532  0 188 LYS   AAA C   1 ? 
ATOM   1293 O  O   . LYS   A 1 175 ? -26.226 -22.552 -13.009 1.000 48.716  0 188 LYS   AAA O   1 ? 
ATOM   1294 C  CB  . LYS   A 1 175 ? -25.632 -23.571 -15.886 1.000 49.345  0 188 LYS   AAA CB  1 ? 
ATOM   1295 C  CG  . LYS   A 1 175 ? -26.051 -24.121 -17.240 1.000 52.588  0 188 LYS   AAA CG  1 ? 
ATOM   1296 C  CD  . LYS   A 1 175 ? -25.301 -23.538 -18.421 1.000 60.318  0 188 LYS   AAA CD  1 ? 
ATOM   1297 C  CE  . LYS   A 1 175 ? -25.758 -24.138 -19.740 1.000 73.414  0 188 LYS   AAA CE  1 ? 
ATOM   1298 N  NZ  . LYS   A 1 175 ? -24.748 -23.992 -20.822 1.000 76.343  0 188 LYS   AAA NZ  1 ? 
ATOM   1299 N  N   . SER   A 1 176 ? -24.878 -24.332 -12.722 1.000 45.529  0 189 SER   AAA N   1 ? 
ATOM   1300 C  CA  . SER   A 1 176 ? -24.444 -23.960 -11.382 1.000 45.440  0 189 SER   AAA CA  1 ? 
ATOM   1301 C  C   . SER   A 1 176 ? -23.323 -24.882 -10.912 1.000 41.350  0 189 SER   AAA C   1 ? 
ATOM   1302 O  O   . SER   A 1 176 ? -23.282 -26.071 -11.241 1.000 43.087  0 189 SER   AAA O   1 ? 
ATOM   1303 C  CB  . SER   A 1 176 ? -25.624 -24.015 -10.415 1.000 43.374  0 189 SER   AAA CB  1 ? 
ATOM   1304 O  OG  . SER   A 1 176 ? -25.201 -24.001 -9.063  1.000 48.485  0 189 SER   AAA OG  1 ? 
ATOM   1305 N  N   . ALA   A 1 177 ? -22.439 -24.347 -10.080 1.000 41.837  0 190 ALA   AAA N   1 ? 
ATOM   1306 C  CA  . ALA   A 1 177 ? -21.608 -25.222 -9.263  1.000 41.429  0 190 ALA   AAA CA  1 ? 
ATOM   1307 C  C   . ALA   A 1 177 ? -22.472 -25.730 -8.114  1.000 36.415  0 190 ALA   AAA C   1 ? 
ATOM   1308 O  O   . ALA   A 1 177 ? -23.428 -25.063 -7.751  1.000 34.630  0 190 ALA   AAA O   1 ? 
ATOM   1309 C  CB  . ALA   A 1 177 ? -20.376 -24.493 -8.781  1.000 38.123  0 190 ALA   AAA CB  1 ? 
ATOM   1310 N  N   . PHE   A 1 178 ? -22.124 -26.904 -7.565  1.000 40.913  0 191 PHE   AAA N   1 ? 
ATOM   1311 C  CA  . PHE   A 1 178 ? -22.897 -27.539 -6.510  1.000 39.405  0 191 PHE   AAA CA  1 ? 
ATOM   1312 C  C   . PHE   A 1 178 ? -21.961 -28.306 -5.578  1.000 44.321  0 191 PHE   AAA C   1 ? 
ATOM   1313 O  O   . PHE   A 1 178 ? -20.754 -28.101 -5.621  1.000 47.045  0 191 PHE   AAA O   1 ? 
ATOM   1314 C  CB  . PHE   A 1 178 ? -23.986 -28.402 -7.146  1.000 42.624  0 191 PHE   AAA CB  1 ? 
ATOM   1315 C  CG  . PHE   A 1 178 ? -25.117 -28.758 -6.219  1.000 45.748  0 191 PHE   AAA CG  1 ? 
ATOM   1316 C  CD1 . PHE   A 1 178 ? -25.778 -27.772 -5.499  1.000 42.010  0 191 PHE   AAA CD1 1 ? 
ATOM   1317 C  CD2 . PHE   A 1 178 ? -25.511 -30.082 -6.059  1.000 41.976  0 191 PHE   AAA CD2 1 ? 
ATOM   1318 C  CE1 . PHE   A 1 178 ? -26.800 -28.110 -4.627  1.000 43.663  0 191 PHE   AAA CE1 1 ? 
ATOM   1319 C  CE2 . PHE   A 1 178 ? -26.554 -30.410 -5.200  1.000 40.881  0 191 PHE   AAA CE2 1 ? 
ATOM   1320 C  CZ  . PHE   A 1 178 ? -27.185 -29.428 -4.479  1.000 40.802  0 191 PHE   AAA CZ  1 ? 
ATOM   1321 N  N   . LYS   A 1 179 ? -22.515 -29.140 -4.684  1.000 47.843  0 192 LYS   AAA N   1 ? 
ATOM   1322 C  CA  . LYS   A 1 179 ? -21.726 -29.784 -3.649  1.000 44.953  0 192 LYS   AAA CA  1 ? 
ATOM   1323 C  C   . LYS   A 1 179 ? -20.604 -30.588 -4.295  1.000 45.240  0 192 LYS   AAA C   1 ? 
ATOM   1324 O  O   . LYS   A 1 179 ? -20.808 -31.309 -5.290  1.000 42.376  0 192 LYS   AAA O   1 ? 
ATOM   1325 C  CB  . LYS   A 1 179 ? -22.551 -30.763 -2.804  1.000 51.406  0 192 LYS   AAA CB  1 ? 
ATOM   1326 C  CG  . LYS   A 1 179 ? -23.735 -30.226 -2.000  1.000 55.583  0 192 LYS   AAA CG  1 ? 
ATOM   1327 C  CD  . LYS   A 1 179 ? -24.646 -31.374 -1.541  1.000 59.433  0 192 LYS   AAA CD  1 ? 
ATOM   1328 C  CE  . LYS   A 1 179 ? -25.914 -30.964 -0.818  1.000 60.694  0 192 LYS   AAA CE  1 ? 
ATOM   1329 N  NZ  . LYS   A 1 179 ? -25.719 -30.952 0.648   1.000 63.887  0 192 LYS   AAA NZ  1 ? 
ATOM   1330 N  N   . GLY   A 1 180 ? -19.432 -30.478 -3.671  1.000 40.194  0 193 GLY   AAA N   1 ? 
ATOM   1331 C  CA  . GLY   A 1 180 ? -18.210 -31.080 -4.169  1.000 42.239  0 193 GLY   AAA CA  1 ? 
ATOM   1332 C  C   . GLY   A 1 180 ? -17.416 -30.117 -5.046  1.000 43.110  0 193 GLY   AAA C   1 ? 
ATOM   1333 O  O   . GLY   A 1 180 ? -16.272 -30.426 -5.391  1.000 41.847  0 193 GLY   AAA O   1 ? 
ATOM   1334 N  N   . ASP   A 1 181 ? -18.009 -28.966 -5.427  1.000 36.281  0 194 ASP   AAA N   1 ? 
ATOM   1335 C  CA  . ASP   A 1 181 ? -17.296 -28.076 -6.336  1.000 37.025  0 194 ASP   AAA CA  1 ? 
ATOM   1336 C  C   . ASP   A 1 181 ? -16.601 -26.955 -5.559  1.000 35.370  0 194 ASP   AAA C   1 ? 
ATOM   1337 O  O   . ASP   A 1 181 ? -15.862 -26.157 -6.146  1.000 33.107  0 194 ASP   AAA O   1 ? 
ATOM   1338 C  CB  . ASP   A 1 181 ? -18.207 -27.515 -7.424  1.000 37.097  0 194 ASP   AAA CB  1 ? 
ATOM   1339 C  CG  . ASP   A 1 181 ? -18.697 -28.547 -8.426  1.000 39.818  0 194 ASP   AAA CG  1 ? 
ATOM   1340 O  OD1 . ASP   A 1 181 ? -17.869 -29.367 -8.879  1.000 43.476  0 194 ASP   AAA OD1 1 ? 
ATOM   1341 O  OD2 . ASP   A 1 181 ? -19.904 -28.512 -8.759  1.000 42.381  0 194 ASP   AAA OD2 1 ? 
ATOM   1342 N  N   . SER   A 1 182 ? -16.873 -26.908 -4.251  1.000 31.912  0 195 SER   AAA N   1 ? 
ATOM   1343 C  CA  . SER   A 1 182 ? -16.263 -25.987 -3.306  1.000 32.299  0 195 SER   AAA CA  1 ? 
ATOM   1344 C  C   . SER   A 1 182 ? -14.750 -25.975 -3.442  1.000 33.136  0 195 SER   AAA C   1 ? 
ATOM   1345 O  O   . SER   A 1 182 ? -14.133 -27.031 -3.588  1.000 30.851  0 195 SER   AAA O   1 ? 
ATOM   1346 C  CB  . SER   A 1 182 ? -16.654 -26.383 -1.905  1.000 36.215  0 195 SER   AAA CB  1 ? 
ATOM   1347 O  OG  . SER   A 1 182 ? -17.957 -25.878 -1.584  1.000 42.008  0 195 SER   AAA OG  1 ? 
ATOM   1348 N  N   . GLY   A 1 183 ? -14.173 -24.766 -3.377  1.000 35.288  0 196 GLY   AAA N   1 ? 
ATOM   1349 C  CA  . GLY   A 1 183 ? -12.729 -24.579 -3.423  1.000 36.457  0 196 GLY   AAA CA  1 ? 
ATOM   1350 C  C   . GLY   A 1 183 ? -12.201 -24.314 -4.830  1.000 36.452  0 196 GLY   AAA C   1 ? 
ATOM   1351 O  O   . GLY   A 1 183 ? -11.125 -23.747 -4.992  1.000 40.297  0 196 GLY   AAA O   1 ? 
ATOM   1352 N  N   . GLY   A 1 184 ? -12.971 -24.721 -5.849  1.000 37.873  0 197 GLY   AAA N   1 ? 
ATOM   1353 C  CA  . GLY   A 1 184 ? -12.538 -24.609 -7.229  1.000 35.449  0 197 GLY   AAA CA  1 ? 
ATOM   1354 C  C   . GLY   A 1 184 ? -12.540 -23.160 -7.684  1.000 33.725  0 197 GLY   AAA C   1 ? 
ATOM   1355 O  O   . GLY   A 1 184 ? -13.276 -22.340 -7.148  1.000 37.376  0 197 GLY   AAA O   1 ? 
ATOM   1356 N  N   . PRO   A 1 185 ? -11.706 -22.794 -8.670  1.000 34.020  0 198 PRO   AAA N   1 ? 
ATOM   1357 C  CA  . PRO   A 1 185 ? -11.652 -21.424 -9.172  1.000 37.423  0 198 PRO   AAA CA  1 ? 
ATOM   1358 C  C   . PRO   A 1 185 ? -12.758 -21.042 -10.145 1.000 37.591  0 198 PRO   AAA C   1 ? 
ATOM   1359 O  O   . PRO   A 1 185 ? -13.186 -21.859 -10.951 1.000 41.466  0 198 PRO   AAA O   1 ? 
ATOM   1360 C  CB  . PRO   A 1 185 ? -10.334 -21.433 -9.949  1.000 39.502  0 198 PRO   AAA CB  1 ? 
ATOM   1361 C  CG  . PRO   A 1 185 ? -10.275 -22.831 -10.509 1.000 37.631  0 198 PRO   AAA CG  1 ? 
ATOM   1362 C  CD  . PRO   A 1 185 ? -10.792 -23.689 -9.378  1.000 36.723  0 198 PRO   AAA CD  1 ? 
ATOM   1363 N  N   . LEU   A 1 186 ? -13.181 -19.773 -10.089 1.000 43.253  0 199 LEU   AAA N   1 ? 
ATOM   1364 C  CA  . LEU   A 1 186 ? -13.988 -19.175 -11.142 1.000 39.170  0 199 LEU   AAA CA  1 ? 
ATOM   1365 C  C   . LEU   A 1 186 ? -13.052 -18.376 -12.040 1.000 38.415  0 199 LEU   AAA C   1 ? 
ATOM   1366 O  O   . LEU   A 1 186 ? -12.400 -17.421 -11.616 1.000 38.807  0 199 LEU   AAA O   1 ? 
ATOM   1367 C  CB  . LEU   A 1 186 ? -15.048 -18.280 -10.499 1.000 41.676  0 199 LEU   AAA CB  1 ? 
ATOM   1368 C  CG  . LEU   A 1 186 ? -15.999 -17.568 -11.461 1.000 43.131  0 199 LEU   AAA CG  1 ? 
ATOM   1369 C  CD1 . LEU   A 1 186 ? -16.978 -18.539 -12.123 1.000 46.921  0 199 LEU   AAA CD1 1 ? 
ATOM   1370 C  CD2 . LEU   A 1 186 ? -16.759 -16.494 -10.731 1.000 42.595  0 199 LEU   AAA CD2 1 ? 
ATOM   1371 N  N   . LEU   A 1 187 ? -12.950 -18.769 -13.293 1.000 37.481  0 200 LEU   AAA N   1 ? 
ATOM   1372 C  CA  . LEU   A 1 187 ? -12.079 -18.034 -14.196 1.000 43.416  0 200 LEU   AAA CA  1 ? 
ATOM   1373 C  C   . LEU   A 1 187 ? -12.926 -17.154 -15.110 1.000 43.945  0 200 LEU   AAA C   1 ? 
ATOM   1374 O  O   . LEU   A 1 187 ? -13.948 -17.590 -15.638 1.000 48.493  0 200 LEU   AAA O   1 ? 
ATOM   1375 C  CB  . LEU   A 1 187 ? -11.222 -19.037 -14.978 1.000 47.243  0 200 LEU   AAA CB  1 ? 
ATOM   1376 C  CG  . LEU   A 1 187 ? -10.124 -19.711 -14.158 1.000 47.727  0 200 LEU   AAA CG  1 ? 
ATOM   1377 C  CD1 . LEU   A 1 187 ? -10.631 -20.968 -13.475 1.000 49.448  0 200 LEU   AAA CD1 1 ? 
ATOM   1378 C  CD2 . LEU   A 1 187 ? -8.921  -20.027 -15.032 1.000 54.388  0 200 LEU   AAA CD2 1 ? 
ATOM   1379 N  N   . CYS   A 1 188 ? -12.532 -15.884 -15.244 1.000 49.269  0 201 CYS   AAA N   1 ? 
ATOM   1380 C  CA  . CYS   A 1 188 ? -13.197 -14.963 -16.162 1.000 46.990  0 201 CYS   AAA CA  1 ? 
ATOM   1381 C  C   . CYS   A 1 188 ? -12.125 -14.410 -17.084 1.000 47.098  0 201 CYS   AAA C   1 ? 
ATOM   1382 O  O   . CYS   A 1 188 ? -11.141 -13.890 -16.580 1.000 51.601  0 201 CYS   AAA O   1 ? 
ATOM   1383 C  CB  . CYS   A 1 188 ? -13.862 -13.793 -15.452 1.000 44.424  0 201 CYS   AAA CB  1 ? 
ATOM   1384 S  SG  . CYS   A 1 188 ? -14.868 -14.252 -14.020 1.000 43.284  0 201 CYS   AAA SG  1 ? 
ATOM   1385 N  N   . ALA   A 1 189 ? -12.296 -14.598 -18.401 1.000 50.324  0 202 ALA   AAA N   1 ? 
ATOM   1386 C  CA  . ALA   A 1 189 ? -11.303 -14.206 -19.392 1.000 57.520  0 202 ALA   AAA CA  1 ? 
ATOM   1387 C  C   . ALA   A 1 189 ? -9.925  -14.738 -18.985 1.000 59.720  0 202 ALA   AAA C   1 ? 
ATOM   1388 O  O   . ALA   A 1 189 ? -8.958  -13.984 -18.952 1.000 62.371  0 202 ALA   AAA O   1 ? 
ATOM   1389 C  CB  . ALA   A 1 189 ? -11.294 -12.695 -19.564 1.000 56.046  0 202 ALA   AAA CB  1 ? 
ATOM   1390 N  N   . GLY   A 1 190 ? -9.855  -16.025 -18.613 1.000 59.741  0 207 GLY   AAA N   1 ? 
ATOM   1391 C  CA  . GLY   A 1 190 ? -8.586  -16.704 -18.408 1.000 60.639  0 207 GLY   AAA CA  1 ? 
ATOM   1392 C  C   . GLY   A 1 190 ? -7.968  -16.501 -17.021 1.000 63.531  0 207 GLY   AAA C   1 ? 
ATOM   1393 O  O   . GLY   A 1 190 ? -6.942  -17.116 -16.721 1.000 64.955  0 207 GLY   AAA O   1 ? 
ATOM   1394 N  N   . ALA   A 1 191 ? -8.595  -15.676 -16.164 1.000 55.088  0 208 ALA   AAA N   1 ? 
ATOM   1395 C  CA  . ALA   A 1 191 ? -7.989  -15.311 -14.893 1.000 50.872  0 208 ALA   AAA CA  1 ? 
ATOM   1396 C  C   . ALA   A 1 191 ? -8.905  -15.677 -13.735 1.000 46.821  0 208 ALA   AAA C   1 ? 
ATOM   1397 O  O   . ALA   A 1 191 ? -10.102 -15.387 -13.740 1.000 48.895  0 208 ALA   AAA O   1 ? 
ATOM   1398 C  CB  . ALA   A 1 191 ? -7.689  -13.824 -14.886 1.000 55.070  0 208 ALA   AAA CB  1 ? 
ATOM   1399 N  N   . ALA   A 1 192 ? -8.295  -16.228 -12.698 1.000 47.079  0 209 ALA   AAA N   1 ? 
ATOM   1400 C  CA  . ALA   A 1 192 ? -9.010  -16.615 -11.495 1.000 48.619  0 209 ALA   AAA CA  1 ? 
ATOM   1401 C  C   . ALA   A 1 192 ? -9.536  -15.371 -10.772 1.000 47.806  0 209 ALA   AAA C   1 ? 
ATOM   1402 O  O   . ALA   A 1 192 ? -8.746  -14.538 -10.341 1.000 42.068  0 209 ALA   AAA O   1 ? 
ATOM   1403 C  CB  . ALA   A 1 192 ? -8.088  -17.431 -10.616 1.000 45.263  0 209 ALA   AAA CB  1 ? 
ATOM   1404 N  N   . GLN   A 1 193 ? -10.870 -15.281 -10.632 1.000 47.906  0 210 GLN   AAA N   1 ? 
ATOM   1405 C  CA  . GLN   A 1 193 ? -11.540 -14.173 -9.965  1.000 45.405  0 210 GLN   AAA CA  1 ? 
ATOM   1406 C  C   . GLN   A 1 193 ? -12.255 -14.625 -8.696  1.000 40.168  0 210 GLN   AAA C   1 ? 
ATOM   1407 O  O   . GLN   A 1 193 ? -12.449 -13.820 -7.785  1.000 37.186  0 210 GLN   AAA O   1 ? 
ATOM   1408 C  CB  . GLN   A 1 193 ? -12.571 -13.551 -10.902 1.000 49.453  0 210 GLN   AAA CB  1 ? 
ATOM   1409 C  CG  . GLN   A 1 193 ? -11.952 -12.939 -12.159 1.000 53.709  0 210 GLN   AAA CG  1 ? 
ATOM   1410 C  CD  . GLN   A 1 193 ? -11.318 -11.601 -11.883 1.000 57.052  0 210 GLN   AAA CD  1 ? 
ATOM   1411 O  OE1 . GLN   A 1 193 ? -11.901 -10.770 -11.183 1.000 65.942  0 210 GLN   AAA OE1 1 ? 
ATOM   1412 N  NE2 . GLN   A 1 193 ? -10.124 -11.382 -12.424 1.000 54.554  0 210 GLN   AAA NE2 1 ? 
ATOM   1413 N  N   . GLY   A 1 194 ? -12.674 -15.892 -8.641  1.000 35.881  0 211 GLY   AAA N   1 ? 
ATOM   1414 C  CA  . GLY   A 1 194 ? -13.453 -16.346 -7.507  1.000 39.226  0 211 GLY   AAA CA  1 ? 
ATOM   1415 C  C   . GLY   A 1 194 ? -13.107 -17.759 -7.056  1.000 39.815  0 211 GLY   AAA C   1 ? 
ATOM   1416 O  O   . GLY   A 1 194 ? -12.364 -18.470 -7.730  1.000 39.160  0 211 GLY   AAA O   1 ? 
ATOM   1417 N  N   . ILE   A 1 195 ? -13.676 -18.129 -5.901  1.000 37.157  0 212 ILE   AAA N   1 ? 
ATOM   1418 C  CA  . ILE   A 1 195 ? -13.576 -19.465 -5.329  1.000 34.091  0 212 ILE   AAA CA  1 ? 
ATOM   1419 C  C   . ILE   A 1 195 ? -14.996 -19.897 -4.959  1.000 32.517  0 212 ILE   AAA C   1 ? 
ATOM   1420 O  O   . ILE   A 1 195 ? -15.732 -19.142 -4.343  1.000 33.230  0 212 ILE   AAA O   1 ? 
ATOM   1421 C  CB  . ILE   A 1 195 ? -12.661 -19.489 -4.085  1.000 31.098  0 212 ILE   AAA CB  1 ? 
ATOM   1422 C  CG1 . ILE   A 1 195 ? -11.289 -18.880 -4.337  1.000 34.502  0 212 ILE   AAA CG1 1 ? 
ATOM   1423 C  CG2 . ILE   A 1 195 ? -12.543 -20.896 -3.527  1.000 35.752  0 212 ILE   AAA CG2 1 ? 
ATOM   1424 C  CD1 . ILE   A 1 195 ? -10.446 -18.735 -3.095  1.000 35.765  0 212 ILE   AAA CD1 1 ? 
ATOM   1425 N  N   . VAL   A 1 196 ? -15.362 -21.132 -5.289  1.000 32.520  0 213 VAL   AAA N   1 ? 
ATOM   1426 C  CA  . VAL   A 1 196 ? -16.685 -21.638 -4.976  1.000 32.712  0 213 VAL   AAA CA  1 ? 
ATOM   1427 C  C   . VAL   A 1 196 ? -16.829 -21.728 -3.461  1.000 32.512  0 213 VAL   AAA C   1 ? 
ATOM   1428 O  O   . VAL   A 1 196 ? -15.972 -22.334 -2.812  1.000 35.215  0 213 VAL   AAA O   1 ? 
ATOM   1429 C  CB  . VAL   A 1 196 ? -16.924 -23.006 -5.625  1.000 32.414  0 213 VAL   AAA CB  1 ? 
ATOM   1430 C  CG1 . VAL   A 1 196 ? -18.307 -23.527 -5.273  1.000 34.591  0 213 VAL   AAA CG1 1 ? 
ATOM   1431 C  CG2 . VAL   A 1 196 ? -16.731 -22.980 -7.134  1.000 32.559  0 213 VAL   AAA CG2 1 ? 
ATOM   1432 N  N   . SER   A 1 197 ? -17.889 -21.095 -2.907  1.000 34.773  0 214 SER   AAA N   1 ? 
ATOM   1433 C  CA  . SER   A 1 197 ? -18.135 -21.076 -1.461  1.000 29.425  0 214 SER   AAA CA  1 ? 
ATOM   1434 C  C   . SER   A 1 197 ? -19.449 -21.776 -1.116  1.000 28.556  0 214 SER   AAA C   1 ? 
ATOM   1435 O  O   . SER   A 1 197 ? -19.396 -22.813 -0.503  1.000 29.693  0 214 SER   AAA O   1 ? 
ATOM   1436 C  CB  . SER   A 1 197 ? -18.101 -19.712 -0.878  1.000 27.435  0 214 SER   AAA CB  1 ? 
ATOM   1437 O  OG  . SER   A 1 197 ? -18.279 -19.775 0.544   1.000 28.690  0 214 SER   AAA OG  1 ? 
ATOM   1438 N  N   . TYR   A 1 198 ? -20.618 -21.207 -1.458  1.000 31.551  0 215 TYR   AAA N   1 ? 
ATOM   1439 C  CA  . TYR   A 1 198 ? -21.885 -21.781 -1.014  1.000 34.094  0 215 TYR   AAA CA  1 ? 
ATOM   1440 C  C   . TYR   A 1 198 ? -23.063 -21.360 -1.886  1.000 33.844  0 215 TYR   AAA C   1 ? 
ATOM   1441 O  O   . TYR   A 1 198 ? -23.011 -20.347 -2.576  1.000 32.378  0 215 TYR   AAA O   1 ? 
ATOM   1442 C  CB  . TYR   A 1 198 ? -22.207 -21.429 0.451   1.000 35.041  0 215 TYR   AAA CB  1 ? 
ATOM   1443 C  CG  . TYR   A 1 198 ? -22.565 -20.000 0.782   1.000 32.833  0 215 TYR   AAA CG  1 ? 
ATOM   1444 C  CD1 . TYR   A 1 198 ? -23.876 -19.525 0.729   1.000 35.846  0 215 TYR   AAA CD1 1 ? 
ATOM   1445 C  CD2 . TYR   A 1 198 ? -21.575 -19.122 1.197   1.000 31.143  0 215 TYR   AAA CD2 1 ? 
ATOM   1446 C  CE1 . TYR   A 1 198 ? -24.196 -18.208 1.067   1.000 33.393  0 215 TYR   AAA CE1 1 ? 
ATOM   1447 C  CE2 . TYR   A 1 198 ? -21.866 -17.811 1.530   1.000 34.420  0 215 TYR   AAA CE2 1 ? 
ATOM   1448 C  CZ  . TYR   A 1 198 ? -23.172 -17.349 1.463   1.000 38.107  0 215 TYR   AAA CZ  1 ? 
ATOM   1449 O  OH  . TYR   A 1 198 ? -23.327 -16.024 1.805   1.000 35.370  0 215 TYR   AAA OH  1 ? 
ATOM   1450 N  N   . GLY   A 1 199 ? -24.149 -22.141 -1.772  1.000 35.196  0 216 GLY   AAA N   1 ? 
ATOM   1451 C  CA  . GLY   A 1 199 ? -25.449 -21.776 -2.321  1.000 37.799  0 216 GLY   AAA CA  1 ? 
ATOM   1452 C  C   . GLY   A 1 199 ? -26.584 -22.585 -1.691  1.000 37.076  0 216 GLY   AAA C   1 ? 
ATOM   1453 O  O   . GLY   A 1 199 ? -26.391 -23.185 -0.637  1.000 35.465  0 216 GLY   AAA O   1 ? 
ATOM   1454 N  N   . ARG   A 1 200 ? -27.750 -22.625 -2.365  1.000 35.552  0 217 ARG   AAA N   1 ? 
ATOM   1455 C  CA  . ARG   A 1 200 ? -28.931 -23.295 -1.819  1.000 39.557  0 217 ARG   AAA CA  1 ? 
ATOM   1456 C  C   . ARG   A 1 200 ? -28.843 -24.797 -2.040  1.000 37.025  0 217 ARG   AAA C   1 ? 
ATOM   1457 O  O   . ARG   A 1 200 ? -28.332 -25.250 -3.065  1.000 38.507  0 217 ARG   AAA O   1 ? 
ATOM   1458 C  CB  . ARG   A 1 200 ? -30.247 -22.850 -2.471  1.000 37.970  0 217 ARG   AAA CB  1 ? 
ATOM   1459 C  CG  . ARG   A 1 200 ? -30.629 -21.419 -2.148  1.000 37.047  0 217 ARG   AAA CG  1 ? 
ATOM   1460 C  CD  . ARG   A 1 200 ? -31.645 -20.866 -3.101  1.000 38.010  0 217 ARG   AAA CD  1 ? 
ATOM   1461 N  NE  . ARG   A 1 200 ? -32.889 -21.622 -3.022  1.000 36.697  0 217 ARG   AAA NE  1 ? 
ATOM   1462 C  CZ  . ARG   A 1 200 ? -33.986 -21.208 -2.396  1.000 35.309  0 217 ARG   AAA CZ  1 ? 
ATOM   1463 N  NH1 . ARG   A 1 200 ? -33.932 -20.164 -1.585  1.000 36.404  0 217 ARG   AAA NH1 1 ? 
ATOM   1464 N  NH2 . ARG   A 1 200 ? -35.107 -21.898 -2.508  1.000 33.541  0 217 ARG   AAA NH2 1 ? 
ATOM   1465 N  N   . SER   A 1 201 ? -29.413 -25.538 -1.091  1.000 37.341  0 218 SER   AAA N   1 ? 
ATOM   1466 C  CA  . SER   A 1 201 ? -29.633 -26.984 -1.191  1.000 37.110  0 218 SER   AAA CA  1 ? 
ATOM   1467 C  C   . SER   A 1 201 ? -30.357 -27.419 -2.462  1.000 34.715  0 218 SER   AAA C   1 ? 
ATOM   1468 O  O   . SER   A 1 201 ? -30.108 -28.517 -2.960  1.000 37.781  0 218 SER   AAA O   1 ? 
ATOM   1469 C  CB  . SER   A 1 201 ? -30.437 -27.462 -0.002  1.000 38.220  0 218 SER   AAA CB  1 ? 
ATOM   1470 O  OG  . SER   A 1 201 ? -31.493 -26.550 0.275   1.000 40.071  0 218 SER   AAA OG  1 ? 
ATOM   1471 N  N   . ASP   A 1 202 ? -31.289 -26.589 -2.953  1.000 36.046  0 219 ASP   AAA N   1 ? 
ATOM   1472 C  CA  . ASP   A 1 202 ? -32.077 -26.935 -4.122  1.000 37.926  0 219 ASP   AAA CA  1 ? 
ATOM   1473 C  C   . ASP   A 1 202 ? -31.297 -26.597 -5.394  1.000 40.013  0 219 ASP   AAA C   1 ? 
ATOM   1474 O  O   . ASP   A 1 202 ? -31.754 -26.904 -6.489  1.000 42.426  0 219 ASP   AAA O   1 ? 
ATOM   1475 C  CB  . ASP   A 1 202 ? -33.472 -26.302 -4.065  1.000 38.728  0 219 ASP   AAA CB  1 ? 
ATOM   1476 C  CG  . ASP   A 1 202 ? -33.464 -24.780 -4.218  1.000 42.597  0 219 ASP   AAA CG  1 ? 
ATOM   1477 O  OD1 . ASP   A 1 202 ? -32.398 -24.222 -4.420  1.000 37.978  0 219 ASP   AAA OD1 1 ? 
ATOM   1478 O  OD2 . ASP   A 1 202 ? -34.538 -24.167 -4.162  1.000 44.671  0 219 ASP   AAA OD2 1 ? 
ATOM   1479 N  N   . ALA   A 1 203 ? -30.144 -25.927 -5.256  1.000 40.060  0 220 ALA   AAA N   1 ? 
ATOM   1480 C  CA  . ALA   A 1 203 ? -29.253 -25.659 -6.374  1.000 35.810  0 220 ALA   AAA CA  1 ? 
ATOM   1481 C  C   . ALA   A 1 203 ? -29.824 -24.614 -7.336  1.000 33.767  0 220 ALA   AAA C   1 ? 
ATOM   1482 O  O   . ALA   A 1 203 ? -29.383 -24.478 -8.471  1.000 33.101  0 220 ALA   AAA O   1 ? 
ATOM   1483 C  CB  . ALA   A 1 203 ? -28.981 -26.936 -7.090  1.000 37.860  0 220 ALA   AAA CB  1 ? 
ATOM   1484 N  N   . LYS   A 1 204 ? -30.794 -23.835 -6.891  1.000 33.309  0 221 LYS   AAA N   1 ? 
ATOM   1485 C  CA  . LYS   A 1 204 ? -31.235 -22.718 -7.703  1.000 37.531  0 221 LYS   AAA CA  1 ? 
ATOM   1486 C  C   . LYS   A 1 204 ? -30.195 -21.605 -7.590  1.000 36.749  0 221 LYS   AAA C   1 ? 
ATOM   1487 O  O   . LYS   A 1 204 ? -29.907 -21.103 -6.511  1.000 34.425  0 221 LYS   AAA O   1 ? 
ATOM   1488 C  CB  . LYS   A 1 204 ? -32.602 -22.244 -7.222  1.000 43.224  0 221 LYS   AAA CB  1 ? 
ATOM   1489 C  CG  . LYS   A 1 204 ? -33.738 -23.226 -7.437  1.000 47.979  0 221 LYS   AAA CG  1 ? 
ATOM   1490 C  CD  . LYS   A 1 204 ? -35.062 -22.616 -6.994  1.000 54.667  0 221 LYS   AAA CD  1 ? 
ATOM   1491 C  CE  . LYS   A 1 204 ? -36.269 -23.403 -7.457  1.000 57.617  0 221 LYS   AAA CE  1 ? 
ATOM   1492 N  NZ  . LYS   A 1 204 ? -37.463 -22.533 -7.513  1.000 60.710  0 221 LYS   AAA NZ  1 ? 
ATOM   1493 N  N   . PRO   A 1 205 ? -29.597 -21.171 -8.707  1.000 40.929  0 224 PRO   AAA N   1 ? 
ATOM   1494 C  CA  . PRO   A 1 205 ? -28.626 -20.088 -8.674  1.000 37.344  0 224 PRO   AAA CA  1 ? 
ATOM   1495 C  C   . PRO   A 1 205 ? -29.302 -18.743 -8.396  1.000 38.455  0 224 PRO   AAA C   1 ? 
ATOM   1496 O  O   . PRO   A 1 205 ? -30.524 -18.649 -8.485  1.000 34.712  0 224 PRO   AAA O   1 ? 
ATOM   1497 C  CB  . PRO   A 1 205 ? -28.012 -20.056 -10.072 1.000 38.681  0 224 PRO   AAA CB  1 ? 
ATOM   1498 C  CG  . PRO   A 1 205 ? -28.706 -21.140 -10.877 1.000 42.468  0 224 PRO   AAA CG  1 ? 
ATOM   1499 C  CD  . PRO   A 1 205 ? -29.900 -21.626 -10.074 1.000 45.163  0 224 PRO   AAA CD  1 ? 
ATOM   1500 N  N   . PRO   A 1 206 ? -28.537 -17.666 -8.083  1.000 35.346  0 225 PRO   AAA N   1 ? 
ATOM   1501 C  CA  . PRO   A 1 206 ? -27.076 -17.729 -8.043  1.000 36.665  0 225 PRO   AAA CA  1 ? 
ATOM   1502 C  C   . PRO   A 1 206 ? -26.493 -18.359 -6.781  1.000 34.575  0 225 PRO   AAA C   1 ? 
ATOM   1503 O  O   . PRO   A 1 206 ? -27.207 -18.582 -5.798  1.000 32.886  0 225 PRO   AAA O   1 ? 
ATOM   1504 C  CB  . PRO   A 1 206 ? -26.646 -16.261 -8.164  1.000 36.618  0 225 PRO   AAA CB  1 ? 
ATOM   1505 C  CG  . PRO   A 1 206 ? -27.785 -15.497 -7.527  1.000 37.991  0 225 PRO   AAA CG  1 ? 
ATOM   1506 C  CD  . PRO   A 1 206 ? -29.035 -16.307 -7.828  1.000 38.494  0 225 PRO   AAA CD  1 ? 
ATOM   1507 N  N   . ALA   A 1 207 ? -25.184 -18.628 -6.880  1.000 36.318  0 226 ALA   AAA N   1 ? 
ATOM   1508 C  CA  . ALA   A 1 207 ? -24.336 -19.159 -5.820  1.000 37.865  0 226 ALA   AAA CA  1 ? 
ATOM   1509 C  C   . ALA   A 1 207 ? -23.348 -18.089 -5.354  1.000 35.960  0 226 ALA   AAA C   1 ? 
ATOM   1510 O  O   . ALA   A 1 207 ? -23.015 -17.185 -6.105  1.000 34.357  0 226 ALA   AAA O   1 ? 
ATOM   1511 C  CB  . ALA   A 1 207 ? -23.586 -20.370 -6.339  1.000 32.612  0 226 ALA   AAA CB  1 ? 
ATOM   1512 N  N   . VAL   A 1 208 ? -22.817 -18.250 -4.140  1.000 34.665  0 227 VAL   AAA N   1 ? 
ATOM   1513 C  CA  . VAL   A 1 208 ? -21.856 -17.303 -3.592  1.000 33.457  0 227 VAL   AAA CA  1 ? 
ATOM   1514 C  C   . VAL   A 1 208 ? -20.426 -17.828 -3.747  1.000 33.251  0 227 VAL   AAA C   1 ? 
ATOM   1515 O  O   . VAL   A 1 208 ? -20.146 -18.953 -3.368  1.000 31.741  0 227 VAL   AAA O   1 ? 
ATOM   1516 C  CB  . VAL   A 1 208 ? -22.196 -16.998 -2.128  1.000 34.944  0 227 VAL   AAA CB  1 ? 
ATOM   1517 C  CG1 . VAL   A 1 208 ? -21.192 -16.027 -1.513  1.000 36.602  0 227 VAL   AAA CG1 1 ? 
ATOM   1518 C  CG2 . VAL   A 1 208 ? -23.614 -16.465 -2.028  1.000 35.954  0 227 VAL   AAA CG2 1 ? 
ATOM   1519 N  N   . PHE   A 1 209 ? -19.540 -16.975 -4.289  1.000 34.502  0 228 PHE   AAA N   1 ? 
ATOM   1520 C  CA  . PHE   A 1 209 ? -18.127 -17.242 -4.485  1.000 34.312  0 228 PHE   AAA CA  1 ? 
ATOM   1521 C  C   . PHE   A 1 209 ? -17.294 -16.187 -3.745  1.000 36.612  0 228 PHE   AAA C   1 ? 
ATOM   1522 O  O   . PHE   A 1 209 ? -17.603 -14.997 -3.781  1.000 31.783  0 228 PHE   AAA O   1 ? 
ATOM   1523 C  CB  . PHE   A 1 209 ? -17.768 -17.158 -5.977  1.000 36.965  0 228 PHE   AAA CB  1 ? 
ATOM   1524 C  CG  . PHE   A 1 209 ? -18.163 -18.323 -6.862  1.000 35.296  0 228 PHE   AAA CG  1 ? 
ATOM   1525 C  CD1 . PHE   A 1 209 ? -19.481 -18.750 -6.960  1.000 38.447  0 228 PHE   AAA CD1 1 ? 
ATOM   1526 C  CD2 . PHE   A 1 209 ? -17.220 -18.960 -7.650  1.000 33.459  0 228 PHE   AAA CD2 1 ? 
ATOM   1527 C  CE1 . PHE   A 1 209 ? -19.839 -19.803 -7.804  1.000 36.189  0 228 PHE   AAA CE1 1 ? 
ATOM   1528 C  CE2 . PHE   A 1 209 ? -17.575 -20.006 -8.498  1.000 35.652  0 228 PHE   AAA CE2 1 ? 
ATOM   1529 C  CZ  . PHE   A 1 209 ? -18.887 -20.435 -8.567  1.000 34.528  0 228 PHE   AAA CZ  1 ? 
ATOM   1530 N  N   . THR   A 1 210 ? -16.187 -16.620 -3.134  1.000 33.967  0 229 THR   AAA N   1 ? 
ATOM   1531 C  CA  . THR   A 1 210 ? -15.204 -15.719 -2.577  1.000 34.828  0 229 THR   AAA CA  1 ? 
ATOM   1532 C  C   . THR   A 1 210 ? -14.593 -14.806 -3.657  1.000 36.783  0 229 THR   AAA C   1 ? 
ATOM   1533 O  O   . THR   A 1 210 ? -14.100 -15.266 -4.678  1.000 41.342  0 229 THR   AAA O   1 ? 
ATOM   1534 C  CB  . THR   A 1 210 ? -14.151 -16.521 -1.801  1.000 31.467  0 229 THR   AAA CB  1 ? 
ATOM   1535 O  OG1 . THR   A 1 210 ? -14.811 -17.346 -0.840  1.000 36.552  0 229 THR   AAA OG1 1 ? 
ATOM   1536 C  CG2 . THR   A 1 210 ? -13.212 -15.617 -1.044  1.000 34.515  0 229 THR   AAA CG2 1 ? 
ATOM   1537 N  N   . ARG   A 1 211 ? -14.538 -13.497 -3.388  1.000 38.734  0 230 ARG   AAA N   1 ? 
ATOM   1538 C  CA  . ARG   A 1 211 ? -13.895 -12.550 -4.289  1.000 40.094  0 230 ARG   AAA CA  1 ? 
ATOM   1539 C  C   . ARG   A 1 211 ? -12.394 -12.497 -3.983  1.000 38.836  0 230 ARG   AAA C   1 ? 
ATOM   1540 O  O   . ARG   A 1 211 ? -11.988 -11.909 -2.989  1.000 39.136  0 230 ARG   AAA O   1 ? 
ATOM   1541 C  CB  . ARG   A 1 211 ? -14.554 -11.175 -4.154  1.000 38.365  0 230 ARG   AAA CB  1 ? 
ATOM   1542 C  CG  . ARG   A 1 211 ? -14.077 -10.143 -5.168  1.000 39.289  0 230 ARG   AAA CG  1 ? 
ATOM   1543 C  CD  . ARG   A 1 211 ? -14.399 -8.685  -4.820  1.000 40.658  0 230 ARG   AAA CD  1 ? 
ATOM   1544 N  NE  . ARG   A 1 211 ? -15.807 -8.293  -4.948  1.000 41.555  0 230 ARG   AAA NE  1 ? 
ATOM   1545 C  CZ  . ARG   A 1 211 ? -16.449 -8.092  -6.103  1.000 39.718  0 230 ARG   AAA CZ  1 ? 
ATOM   1546 N  NH1 . ARG   A 1 211 ? -15.819 -8.168  -7.257  1.000 38.331  0 230 ARG   AAA NH1 1 ? 
ATOM   1547 N  NH2 . ARG   A 1 211 ? -17.746 -7.847  -6.105  1.000 41.352  0 230 ARG   AAA NH2 1 ? 
ATOM   1548 N  N   . ILE   A 1 212 ? -11.584 -13.098 -4.866  1.000 36.481  0 231 ILE   AAA N   1 ? 
ATOM   1549 C  CA  . ILE   A 1 212 ? -10.158 -13.323 -4.651  1.000 38.444  0 231 ILE   AAA CA  1 ? 
ATOM   1550 C  C   . ILE   A 1 212 ? -9.400  -11.997 -4.486  1.000 40.279  0 231 ILE   AAA C   1 ? 
ATOM   1551 O  O   . ILE   A 1 212 ? -8.515  -11.915 -3.636  1.000 39.063  0 231 ILE   AAA O   1 ? 
ATOM   1552 C  CB  . ILE   A 1 212 ? -9.570  -14.197 -5.785  1.000 37.797  0 231 ILE   AAA CB  1 ? 
ATOM   1553 C  CG1 . ILE   A 1 212 ? -10.134 -15.620 -5.753  1.000 38.752  0 231 ILE   AAA CG1 1 ? 
ATOM   1554 C  CG2 . ILE   A 1 212 ? -8.045  -14.233 -5.745  1.000 38.641  0 231 ILE   AAA CG2 1 ? 
ATOM   1555 C  CD1 . ILE   A 1 212 ? -9.575  -16.536 -6.828  1.000 38.226  0 231 ILE   AAA CD1 1 ? 
ATOM   1556 N  N   . SER   A 1 213 ? -9.762  -10.970 -5.274  1.000 40.636  0 232 SER   AAA N   1 ? 
ATOM   1557 C  CA  . SER   A 1 213 ? -9.063  -9.700  -5.285  1.000 43.039  0 232 SER   AAA CA  1 ? 
ATOM   1558 C  C   . SER   A 1 213 ? -8.898  -9.158  -3.869  1.000 43.958  0 232 SER   AAA C   1 ? 
ATOM   1559 O  O   . SER   A 1 213 ? -7.810  -8.743  -3.502  1.000 41.455  0 232 SER   AAA O   1 ? 
ATOM   1560 C  CB  . SER   A 1 213 ? -9.716  -8.702  -6.203  1.000 45.963  0 232 SER   AAA CB  1 ? 
ATOM   1561 O  OG  . SER   A 1 213 ? -11.068 -8.446  -5.840  1.000 48.264  0 232 SER   AAA OG  1 ? 
ATOM   1562 N  N   . HIS   A 1 214 ? -9.952  -9.228  -3.052  1.000 43.560  0 233 HIS   AAA N   1 ? 
ATOM   1563 C  CA  . HIS   A 1 214 ? -9.902  -8.663  -1.714  1.000 41.147  0 233 HIS   AAA CA  1 ? 
ATOM   1564 C  C   . HIS   A 1 214 ? -8.849  -9.342  -0.829  1.000 42.971  0 233 HIS   AAA C   1 ? 
ATOM   1565 O  O   . HIS   A 1 214 ? -8.398  -8.730  0.142   1.000 42.221  0 233 HIS   AAA O   1 ? 
ATOM   1566 C  CB  . HIS   A 1 214 ? -11.308 -8.672  -1.111  1.000 41.794  0 233 HIS   AAA CB  1 ? 
ATOM   1567 C  CG  . HIS   A 1 214 ? -11.383 -8.252  0.313   1.000 44.050  0 233 HIS   AAA CG  1 ? 
ATOM   1568 N  ND1 . HIS   A 1 214 ? -11.618 -6.952  0.691   1.000 45.605  0 233 HIS   AAA ND1 1 ? 
ATOM   1569 C  CD2 . HIS   A 1 214 ? -11.240 -8.960  1.451   1.000 46.400  0 233 HIS   AAA CD2 1 ? 
ATOM   1570 C  CE1 . HIS   A 1 214 ? -11.617 -6.890  2.019   1.000 51.280  0 233 HIS   AAA CE1 1 ? 
ATOM   1571 N  NE2 . HIS   A 1 214 ? -11.388 -8.101  2.503   1.000 48.787  0 233 HIS   AAA NE2 1 ? 
ATOM   1572 N  N   . TYR   A 1 215 ? -8.454  -10.585 -1.164  1.000 42.750  0 234 TYR   AAA N   1 ? 
ATOM   1573 C  CA  . TYR   A 1 215 ? -7.652  -11.430 -0.289  1.000 42.745  0 234 TYR   AAA CA  1 ? 
ATOM   1574 C  C   . TYR   A 1 215 ? -6.204  -11.525 -0.756  1.000 41.279  0 234 TYR   AAA C   1 ? 
ATOM   1575 O  O   . TYR   A 1 215 ? -5.395  -12.139 -0.077  1.000 47.208  0 234 TYR   AAA O   1 ? 
ATOM   1576 C  CB  . TYR   A 1 215 ? -8.289  -12.819 -0.187  1.000 42.613  0 234 TYR   AAA CB  1 ? 
ATOM   1577 C  CG  . TYR   A 1 215 ? -9.609  -12.775 0.526   1.000 39.689  0 234 TYR   AAA CG  1 ? 
ATOM   1578 C  CD1 . TYR   A 1 215 ? -9.649  -12.644 1.899   1.000 38.320  0 234 TYR   AAA CD1 1 ? 
ATOM   1579 C  CD2 . TYR   A 1 215 ? -10.797 -12.699 -0.179  1.000 38.734  0 234 TYR   AAA CD2 1 ? 
ATOM   1580 C  CE1 . TYR   A 1 215 ? -10.851 -12.554 2.573   1.000 37.018  0 234 TYR   AAA CE1 1 ? 
ATOM   1581 C  CE2 . TYR   A 1 215 ? -12.009 -12.572 0.475   1.000 38.805  0 234 TYR   AAA CE2 1 ? 
ATOM   1582 C  CZ  . TYR   A 1 215 ? -12.030 -12.509 1.859   1.000 36.362  0 234 TYR   AAA CZ  1 ? 
ATOM   1583 O  OH  . TYR   A 1 215 ? -13.209 -12.372 2.516   1.000 32.543  0 234 TYR   AAA OH  1 ? 
ATOM   1584 N  N   . GLN   A 1 216 ? -5.894  -10.899 -1.891  1.000 47.532  0 235 GLN   AAA N   1 ? 
ATOM   1585 C  CA  . GLN   A 1 216 ? -4.581  -10.937 -2.514  1.000 52.438  0 235 GLN   AAA CA  1 ? 
ATOM   1586 C  C   . GLN   A 1 216 ? -3.476  -10.552 -1.524  1.000 50.617  0 235 GLN   AAA C   1 ? 
ATOM   1587 O  O   . GLN   A 1 216 ? -2.444  -11.228 -1.512  1.000 47.882  0 235 GLN   AAA O   1 ? 
ATOM   1588 C  CB  . GLN   A 1 216 ? -4.539  -10.019 -3.743  1.000 58.765  0 235 GLN   AAA CB  1 ? 
ATOM   1589 C  CG  . GLN   A 1 216 ? -4.839  -10.709 -5.066  1.000 68.413  0 235 GLN   AAA CG  1 ? 
ATOM   1590 C  CD  . GLN   A 1 216 ? -3.895  -11.853 -5.342  1.000 73.151  0 235 GLN   AAA CD  1 ? 
ATOM   1591 O  OE1 . GLN   A 1 216 ? -4.315  -12.928 -5.768  1.000 88.205  0 235 GLN   AAA OE1 1 ? 
ATOM   1592 N  NE2 . GLN   A 1 216 ? -2.610  -11.637 -5.100  1.000 78.788  0 235 GLN   AAA NE2 1 ? 
ATOM   1593 N  N   . PRO   A 1 217 ? -3.595  -9.460  -0.722  1.000 44.934  0 236 PRO   AAA N   1 ? 
ATOM   1594 C  CA  . PRO   A 1 217 ? -2.560  -9.116  0.263   1.000 48.811  0 236 PRO   AAA CA  1 ? 
ATOM   1595 C  C   . PRO   A 1 217 ? -2.371  -10.221 1.300   1.000 45.487  0 236 PRO   AAA C   1 ? 
ATOM   1596 O  O   . PRO   A 1 217 ? -1.254  -10.501 1.741   1.000 42.595  0 236 PRO   AAA O   1 ? 
ATOM   1597 C  CB  . PRO   A 1 217 ? -3.016  -7.791  0.921   1.000 46.853  0 236 PRO   AAA CB  1 ? 
ATOM   1598 C  CG  . PRO   A 1 217 ? -4.011  -7.204  -0.064  1.000 46.103  0 236 PRO   AAA CG  1 ? 
ATOM   1599 C  CD  . PRO   A 1 217 ? -4.619  -8.400  -0.803  1.000 50.672  0 236 PRO   AAA CD  1 ? 
ATOM   1600 N  N   . TRP   A 1 218 ? -3.469  -10.875 1.672   1.000 46.808  0 237 TRP   AAA N   1 ? 
ATOM   1601 C  CA  . TRP   A 1 218 ? -3.348  -11.970 2.612   1.000 45.853  0 237 TRP   AAA CA  1 ? 
ATOM   1602 C  C   . TRP   A 1 218 ? -2.684  -13.184 1.949   1.000 44.042  0 237 TRP   AAA C   1 ? 
ATOM   1603 O  O   . TRP   A 1 218 ? -1.812  -13.817 2.541   1.000 38.968  0 237 TRP   AAA O   1 ? 
ATOM   1604 C  CB  . TRP   A 1 218 ? -4.691  -12.324 3.228   1.000 43.292  0 237 TRP   AAA CB  1 ? 
ATOM   1605 C  CG  . TRP   A 1 218 ? -4.545  -13.535 4.090   1.000 42.445  0 237 TRP   AAA CG  1 ? 
ATOM   1606 C  CD1 . TRP   A 1 218 ? -3.988  -13.598 5.330   1.000 41.413  0 237 TRP   AAA CD1 1 ? 
ATOM   1607 C  CD2 . TRP   A 1 218 ? -4.857  -14.884 3.716   1.000 38.149  0 237 TRP   AAA CD2 1 ? 
ATOM   1608 N  NE1 . TRP   A 1 218 ? -3.966  -14.894 5.769   1.000 43.805  0 237 TRP   AAA NE1 1 ? 
ATOM   1609 C  CE2 . TRP   A 1 218 ? -4.510  -15.700 4.811   1.000 39.813  0 237 TRP   AAA CE2 1 ? 
ATOM   1610 C  CE3 . TRP   A 1 218 ? -5.403  -15.473 2.574   1.000 35.473  0 237 TRP   AAA CE3 1 ? 
ATOM   1611 C  CZ2 . TRP   A 1 218 ? -4.720  -17.074 4.806   1.000 40.163  0 237 TRP   AAA CZ2 1 ? 
ATOM   1612 C  CZ3 . TRP   A 1 218 ? -5.595  -16.836 2.564   1.000 35.454  0 237 TRP   AAA CZ3 1 ? 
ATOM   1613 C  CH2 . TRP   A 1 218 ? -5.271  -17.619 3.669   1.000 36.939  0 237 TRP   AAA CH2 1 ? 
ATOM   1614 N  N   . ILE   A 1 219 ? -3.067  -13.500 0.707   1.000 39.768  0 238 ILE   AAA N   1 ? 
ATOM   1615 C  CA  . ILE   A 1 219 ? -2.406  -14.580 -0.015  1.000 39.694  0 238 ILE   AAA CA  1 ? 
ATOM   1616 C  C   . ILE   A 1 219 ? -0.887  -14.340 -0.019  1.000 43.000  0 238 ILE   AAA C   1 ? 
ATOM   1617 O  O   . ILE   A 1 219 ? -0.124  -15.222 0.370   1.000 47.890  0 238 ILE   AAA O   1 ? 
ATOM   1618 C  CB  . ILE   A 1 219 ? -3.046  -14.733 -1.413  1.000 35.431  0 238 ILE   AAA CB  1 ? 
ATOM   1619 C  CG1 . ILE   A 1 219 ? -4.513  -15.178 -1.282  1.000 36.623  0 238 ILE   AAA CG1 1 ? 
ATOM   1620 C  CG2 . ILE   A 1 219 ? -2.265  -15.673 -2.302  1.000 30.159  0 238 ILE   AAA CG2 1 ? 
ATOM   1621 C  CD1 . ILE   A 1 219 ? -5.302  -15.166 -2.581  1.000 36.402  0 238 ILE   AAA CD1 1 ? 
ATOM   1622 N  N   . ASN   A 1 220 ? -0.452  -13.127 -0.386  1.000 45.858  0 239 ASN   AAA N   1 ? 
ATOM   1623 C  CA  . ASN   A 1 220 ? 0.964   -12.805 -0.539  1.000 49.595  0 239 ASN   AAA CA  1 ? 
ATOM   1624 C  C   . ASN   A 1 220 ? 1.720   -12.869 0.782   1.000 44.611  0 239 ASN   AAA C   1 ? 
ATOM   1625 O  O   . ASN   A 1 220 ? 2.851   -13.316 0.799   1.000 49.969  0 239 ASN   AAA O   1 ? 
ATOM   1626 C  CB  . ASN   A 1 220 ? 1.200   -11.428 -1.160  1.000 50.896  0 239 ASN   AAA CB  1 ? 
ATOM   1627 C  CG  . ASN   A 1 220 ? 0.701   -11.354 -2.585  1.000 53.988  0 239 ASN   AAA CG  1 ? 
ATOM   1628 O  OD1 . ASN   A 1 220 ? 0.890   -12.278 -3.374  1.000 53.301  0 239 ASN   AAA OD1 1 ? 
ATOM   1629 N  ND2 . ASN   A 1 220 ? 0.035   -10.262 -2.915  1.000 61.431  0 239 ASN   AAA ND2 1 ? 
ATOM   1630 N  N   . GLN   A 1 221 ? 1.103   -12.446 1.881   1.000 50.185  0 240 GLN   AAA N   1 ? 
ATOM   1631 C  CA  . GLN   A 1 221 ? 1.699   -12.602 3.203   1.000 50.556  0 240 GLN   AAA CA  1 ? 
ATOM   1632 C  C   . GLN   A 1 221 ? 1.991   -14.082 3.491   1.000 49.461  0 240 GLN   AAA C   1 ? 
ATOM   1633 O  O   . GLN   A 1 221 ? 3.095   -14.423 3.919   1.000 50.980  0 240 GLN   AAA O   1 ? 
ATOM   1634 C  CB  . GLN   A 1 221 ? 0.790   -12.007 4.288   1.000 52.283  0 240 GLN   AAA CB  1 ? 
ATOM   1635 C  CG  . GLN   A 1 221 ? 1.404   -12.053 5.690   1.000 56.554  0 240 GLN   AAA CG  1 ? 
ATOM   1636 C  CD  . GLN   A 1 221 ? 0.443   -11.643 6.782   1.000 61.321  0 240 GLN   AAA CD  1 ? 
ATOM   1637 O  OE1 . GLN   A 1 221 ? 0.833   -11.370 7.921   1.000 62.202  0 240 GLN   AAA OE1 1 ? 
ATOM   1638 N  NE2 . GLN   A 1 221 ? -0.830  -11.562 6.432   1.000 61.344  0 240 GLN   AAA NE2 1 ? 
ATOM   1639 N  N   . ILE   A 1 222 ? 1.009   -14.972 3.270   1.000 44.326  0 241 ILE   AAA N   1 ? 
ATOM   1640 C  CA  . ILE   A 1 222 ? 1.223   -16.387 3.546   1.000 44.700  0 241 ILE   AAA CA  1 ? 
ATOM   1641 C  C   . ILE   A 1 222 ? 2.365   -16.947 2.680   1.000 44.163  0 241 ILE   AAA C   1 ? 
ATOM   1642 O  O   . ILE   A 1 222 ? 3.269   -17.595 3.205   1.000 44.250  0 241 ILE   AAA O   1 ? 
ATOM   1643 C  CB  . ILE   A 1 222 ? -0.084  -17.204 3.427   1.000 43.768  0 241 ILE   AAA CB  1 ? 
ATOM   1644 C  CG1 . ILE   A 1 222 ? -1.138  -16.796 4.458   1.000 41.700  0 241 ILE   AAA CG1 1 ? 
ATOM   1645 C  CG2 . ILE   A 1 222 ? 0.195   -18.703 3.520   1.000 49.353  0 241 ILE   AAA CG2 1 ? 
ATOM   1646 C  CD1 . ILE   A 1 222 ? -0.659  -16.765 5.906   1.000 43.958  0 241 ILE   AAA CD1 1 ? 
ATOM   1647 N  N   . LEU   A 1 223 ? 2.378   -16.693 1.365   1.000 47.240  0 242 LEU   AAA N   1 ? 
ATOM   1648 C  CA  . LEU   A 1 223 ? 3.436   -17.247 0.518   1.000 49.648  0 242 LEU   AAA CA  1 ? 
ATOM   1649 C  C   . LEU   A 1 223 ? 4.832   -16.803 0.987   1.000 51.793  0 242 LEU   AAA C   1 ? 
ATOM   1650 O  O   . LEU   A 1 223 ? 5.753   -17.621 1.024   1.000 54.241  0 242 LEU   AAA O   1 ? 
ATOM   1651 C  CB  . LEU   A 1 223 ? 3.213   -16.845 -0.946  1.000 48.903  0 242 LEU   AAA CB  1 ? 
ATOM   1652 C  CG  . LEU   A 1 223 ? 1.876   -17.252 -1.560  1.000 49.967  0 242 LEU   AAA CG  1 ? 
ATOM   1653 C  CD1 . LEU   A 1 223 ? 1.715   -16.657 -2.949  1.000 49.677  0 242 LEU   AAA CD1 1 ? 
ATOM   1654 C  CD2 . LEU   A 1 223 ? 1.715   -18.766 -1.609  1.000 49.480  0 242 LEU   AAA CD2 1 ? 
ATOM   1655 N  N   . GLN   A 1 224 ? 4.986   -15.524 1.373   1.000 52.454  0 243 GLN   AAA N   1 ? 
ATOM   1656 C  CA  . GLN   A 1 224 ? 6.305   -14.952 1.639   1.000 61.018  0 243 GLN   AAA CA  1 ? 
ATOM   1657 C  C   . GLN   A 1 224 ? 6.864   -15.416 2.985   1.000 58.912  0 243 GLN   AAA C   1 ? 
ATOM   1658 O  O   . GLN   A 1 224 ? 8.038   -15.187 3.249   1.000 60.494  0 243 GLN   AAA O   1 ? 
ATOM   1659 C  CB  . GLN   A 1 224 ? 6.282   -13.417 1.631   1.000 66.447  0 243 GLN   AAA CB  1 ? 
ATOM   1660 C  CG  . GLN   A 1 224 ? 6.437   -12.775 0.254   1.000 72.656  0 243 GLN   AAA CG  1 ? 
ATOM   1661 C  CD  . GLN   A 1 224 ? 7.078   -11.407 0.363   1.000 88.792  0 243 GLN   AAA CD  1 ? 
ATOM   1662 O  OE1 . GLN   A 1 224 ? 7.703   -11.067 1.367   1.000 88.158  0 243 GLN   AAA OE1 1 ? 
ATOM   1663 N  NE2 . GLN   A 1 224 ? 6.942   -10.599 -0.677  1.000 90.861  0 243 GLN   AAA NE2 1 ? 
ATOM   1664 N  N   . ALA   A 1 225 ? 6.022   -16.013 3.841   1.000 52.054  0 244 ALA   AAA N   1 ? 
ATOM   1665 C  CA  . ALA   A 1 225 ? 6.421   -16.475 5.164   1.000 49.203  0 244 ALA   AAA CA  1 ? 
ATOM   1666 C  C   . ALA   A 1 225 ? 6.675   -17.984 5.161   1.000 50.975  0 244 ALA   AAA C   1 ? 
ATOM   1667 O  O   . ALA   A 1 225 ? 7.143   -18.528 6.154   1.000 57.454  0 244 ALA   AAA O   1 ? 
ATOM   1668 C  CB  . ALA   A 1 225 ? 5.330   -16.124 6.168   1.000 47.772  0 244 ALA   AAA CB  1 ? 
ATOM   1669 N  N   . ASN   A 1 226 ? 6.373   -18.662 4.042   1.000 51.788  0 245 ASN   AAA N   1 ? 
ATOM   1670 C  CA  . ASN   A 1 226 ? 6.350   -20.117 4.001   1.000 47.411  0 245 ASN   AAA CA  1 ? 
ATOM   1671 C  C   . ASN   A 1 226 ? 7.088   -20.615 2.747   1.000 50.653  0 245 ASN   AAA C   1 ? 
ATOM   1672 O  O   . ASN   A 1 226 ? 6.808   -21.749 2.328   1.000 46.874  0 245 ASN   AAA O   1 ? 
ATOM   1673 C  CB  . ASN   A 1 226 ? 4.902   -20.607 4.129   1.000 48.324  0 245 ASN   AAA CB  1 ? 
ATOM   1674 C  CG  . ASN   A 1 226 ? 4.295   -20.197 5.462   1.000 50.403  0 245 ASN   AAA CG  1 ? 
ATOM   1675 O  OD1 . ASN   A 1 226 ? 4.639   -20.754 6.508   1.000 47.685  0 245 ASN   AAA OD1 1 ? 
ATOM   1676 N  ND2 . ASN   A 1 226 ? 3.461   -19.168 5.457   1.000 49.053  0 245 ASN   AAA ND2 1 ? 
ATOM   1677 O  OXT . ASN   A 1 226 ? 7.942   -19.854 2.239   1.000 52.746  0 245 ASN   AAA OXT 1 ? 
HETATM 1678 C  C1  . NAG   B 2 .   ? -19.249 -15.433 13.268  1.000 55.000  0 301 NAG   AAA C1  1 ? 
HETATM 1679 C  C2  . NAG   B 2 .   ? -18.646 -15.019 14.616  1.000 55.100  0 301 NAG   AAA C2  1 ? 
HETATM 1680 C  C3  . NAG   B 2 .   ? -19.757 -14.690 15.618  1.000 53.970  0 301 NAG   AAA C3  1 ? 
HETATM 1681 C  C4  . NAG   B 2 .   ? -20.667 -13.648 14.963  1.000 59.850  0 301 NAG   AAA C4  1 ? 
HETATM 1682 C  C5  . NAG   B 2 .   ? -21.340 -14.383 13.798  1.000 68.410  0 301 NAG   AAA C5  1 ? 
HETATM 1683 C  C6  . NAG   B 2 .   ? -22.499 -13.661 13.132  1.000 61.230  0 301 NAG   AAA C6  1 ? 
HETATM 1684 C  C7  . NAG   B 2 .   ? -16.383 -15.832 14.995  1.000 72.950  0 301 NAG   AAA C7  1 ? 
HETATM 1685 C  C8  . NAG   B 2 .   ? -15.521 -16.598 15.957  1.000 72.530  0 301 NAG   AAA C8  1 ? 
HETATM 1686 N  N2  . NAG   B 2 .   ? -17.704 -16.019 15.080  1.000 59.010  0 301 NAG   AAA N2  1 ? 
HETATM 1687 O  O3  . NAG   B 2 .   ? -19.236 -14.301 16.886  1.000 48.910  0 301 NAG   AAA O3  1 ? 
HETATM 1688 O  O4  . NAG   B 2 .   ? -21.628 -13.032 15.825  1.000 59.150  0 301 NAG   AAA O4  1 ? 
HETATM 1689 O  O5  . NAG   B 2 .   ? -20.318 -14.618 12.795  1.000 61.850  0 301 NAG   AAA O5  1 ? 
HETATM 1690 O  O6  . NAG   B 2 .   ? -22.161 -12.341 12.706  1.000 69.140  0 301 NAG   AAA O6  1 ? 
HETATM 1691 O  O7  . NAG   B 2 .   ? -15.901 -15.074 14.160  1.000 74.270  0 301 NAG   AAA O7  1 ? 
HETATM 1692 C  C1  . NAG   C 2 .   ? -14.111 -43.318 -15.401 1.000 58.400  0 302 NAG   AAA C1  1 ? 
HETATM 1693 C  C2  . NAG   C 2 .   ? -15.251 -43.617 -16.377 1.000 60.500  0 302 NAG   AAA C2  1 ? 
HETATM 1694 C  C3  . NAG   C 2 .   ? -16.212 -44.609 -15.715 1.000 63.200  0 302 NAG   AAA C3  1 ? 
HETATM 1695 C  C4  . NAG   C 2 .   ? -15.467 -45.853 -15.241 1.000 62.970  0 302 NAG   AAA C4  1 ? 
HETATM 1696 C  C5  . NAG   C 2 .   ? -14.185 -45.523 -14.475 1.000 69.310  0 302 NAG   AAA C5  1 ? 
HETATM 1697 C  C6  . NAG   C 2 .   ? -13.289 -46.740 -14.282 1.000 69.970  0 302 NAG   AAA C6  1 ? 
HETATM 1698 C  C7  . NAG   C 2 .   ? -15.769 -41.706 -17.910 1.000 64.360  0 302 NAG   AAA C7  1 ? 
HETATM 1699 C  C8  . NAG   C 2 .   ? -14.584 -42.034 -18.772 1.000 69.250  0 302 NAG   AAA C8  1 ? 
HETATM 1700 N  N2  . NAG   C 2 .   ? -15.946 -42.416 -16.792 1.000 58.920  0 302 NAG   AAA N2  1 ? 
HETATM 1701 O  O3  . NAG   C 2 .   ? -17.264 -44.985 -16.601 1.000 63.490  0 302 NAG   AAA O3  1 ? 
HETATM 1702 O  O4  . NAG   C 2 .   ? -16.322 -46.559 -14.348 1.000 65.260  0 302 NAG   AAA O4  1 ? 
HETATM 1703 O  O5  . NAG   C 2 .   ? -13.405 -44.528 -15.168 1.000 61.440  0 302 NAG   AAA O5  1 ? 
HETATM 1704 O  O6  . NAG   C 2 .   ? -12.739 -47.212 -15.522 1.000 71.320  0 302 NAG   AAA O6  1 ? 
HETATM 1705 O  O7  . NAG   C 2 .   ? -16.544 -40.801 -18.202 1.000 57.090  0 302 NAG   AAA O7  1 ? 
HETATM 1706 C  C1  . NAG   D 2 .   ? -16.726 -48.189 -15.679 1.000 78.480  0 303 NAG   AAA C1  1 ? 
HETATM 1707 C  C2  . NAG   D 2 .   ? -16.822 -49.352 -14.694 1.000 91.870  0 303 NAG   AAA C2  1 ? 
HETATM 1708 C  C3  . NAG   D 2 .   ? -17.531 -50.508 -15.401 1.000 102.540 0 303 NAG   AAA C3  1 ? 
HETATM 1709 C  C4  . NAG   D 2 .   ? -18.792 -49.985 -16.090 1.000 89.220  0 303 NAG   AAA C4  1 ? 
HETATM 1710 C  C5  . NAG   D 2 .   ? -18.406 -48.990 -17.185 1.000 87.170  0 303 NAG   AAA C5  1 ? 
HETATM 1711 C  C6  . NAG   D 2 .   ? -19.266 -47.739 -17.169 1.000 87.730  0 303 NAG   AAA C6  1 ? 
HETATM 1712 C  C7  . NAG   D 2 .   ? -15.340 -49.528 -12.740 1.000 74.800  0 303 NAG   AAA C7  1 ? 
HETATM 1713 C  C8  . NAG   D 2 .   ? -14.288 -50.395 -12.109 1.000 72.620  0 303 NAG   AAA C8  1 ? 
HETATM 1714 N  N2  . NAG   D 2 .   ? -15.559 -49.693 -14.056 1.000 80.860  0 303 NAG   AAA N2  1 ? 
HETATM 1715 O  O3  . NAG   D 2 .   ? -17.846 -51.535 -14.470 1.000 122.870 0 303 NAG   AAA O3  1 ? 
HETATM 1716 O  O4  . NAG   D 2 .   ? -19.546 -51.050 -16.666 1.000 90.190  0 303 NAG   AAA O4  1 ? 
HETATM 1717 O  O5  . NAG   D 2 .   ? -17.035 -48.575 -17.010 1.000 84.880  0 303 NAG   AAA O5  1 ? 
HETATM 1718 O  O6  . NAG   D 2 .   ? -18.741 -46.723 -18.011 1.000 88.010  0 303 NAG   AAA O6  1 ? 
HETATM 1719 O  O7  . NAG   D 2 .   ? -15.970 -48.706 -12.078 1.000 65.590  0 303 NAG   AAA O7  1 ? 
HETATM 1720 N  N1  . A1IJV E 3 .   ? -24.684 -26.114 0.254   1.000 42.631  0 304 A1IJV AAA N1  1 ? 
HETATM 1721 N  N3  . A1IJV E 3 .   ? -25.364 -24.565 1.972   1.000 43.284  0 304 A1IJV AAA N3  1 ? 
HETATM 1722 C  C5  . A1IJV E 3 .   ? -26.535 -26.442 1.729   1.000 40.563  0 304 A1IJV AAA C5  1 ? 
HETATM 1723 C  C6  . A1IJV E 3 .   ? -25.768 -26.893 0.648   1.000 44.895  0 304 A1IJV AAA C6  1 ? 
HETATM 1724 C  C13 . A1IJV E 3 .   ? -23.837 -26.592 -0.822  1.000 42.079  0 304 A1IJV AAA C13 1 ? 
HETATM 1725 C  C15 . A1IJV E 3 .   ? -23.970 -21.729 3.855   1.000 47.466  0 304 A1IJV AAA C15 1 ? 
HETATM 1726 C  C17 . A1IJV E 3 .   ? -26.214 -21.273 3.115   1.000 42.529  0 304 A1IJV AAA C17 1 ? 
HETATM 1727 C  C20 . A1IJV E 3 .   ? -24.002 -23.015 3.262   1.000 40.371  0 304 A1IJV AAA C20 1 ? 
HETATM 1728 C  C22 . A1IJV E 3 .   ? -23.789 -19.050 4.716   1.000 46.782  0 304 A1IJV AAA C22 1 ? 
HETATM 1729 C  C24 . A1IJV E 3 .   ? -28.490 -20.967 2.562   1.000 47.969  0 304 A1IJV AAA C24 1 ? 
HETATM 1730 C  C26 . A1IJV E 3 .   ? -25.296 -25.541 -2.643  1.000 39.144  0 304 A1IJV AAA C26 1 ? 
HETATM 1731 C  C28 . A1IJV E 3 .   ? -22.823 -25.346 -2.704  1.000 35.936  0 304 A1IJV AAA C28 1 ? 
HETATM 1732 F  F31 . A1IJV E 3 .   ? -20.667 -25.028 -4.904  1.000 37.984  0 304 A1IJV AAA F31 1 ? 
HETATM 1733 C  C29 . A1IJV E 3 .   ? -21.610 -24.127 -4.570  1.000 38.981  0 304 A1IJV AAA C29 1 ? 
HETATM 1734 F  F32 . A1IJV E 3 .   ? -21.925 -23.467 -5.627  1.000 38.028  0 304 A1IJV AAA F32 1 ? 
HETATM 1735 F  F30 . A1IJV E 3 .   ? -21.111 -23.266 -3.738  1.000 37.865  0 304 A1IJV AAA F30 1 ? 
HETATM 1736 C  C12 . A1IJV E 3 .   ? -22.906 -24.661 -3.915  1.000 39.405  0 304 A1IJV AAA C12 1 ? 
HETATM 1737 C  C14 . A1IJV E 3 .   ? -24.175 -24.394 -4.459  1.000 42.766  0 304 A1IJV AAA C14 1 ? 
HETATM 1738 C  C25 . A1IJV E 3 .   ? -25.364 -24.845 -3.856  1.000 41.523  0 304 A1IJV AAA C25 1 ? 
HETATM 1739 C  C27 . A1IJV E 3 .   ? -23.997 -25.799 -2.108  1.000 45.508  0 304 A1IJV AAA C27 1 ? 
HETATM 1740 C  C2  . A1IJV E 3 .   ? -24.469 -24.912 0.922   1.000 42.539  0 304 A1IJV AAA C2  1 ? 
HETATM 1741 O  O8  . A1IJV E 3 .   ? -23.549 -24.159 0.612   1.000 37.999  0 304 A1IJV AAA O8  1 ? 
HETATM 1742 O  O7  . A1IJV E 3 .   ? -25.990 -27.954 0.047   1.000 45.332  0 304 A1IJV AAA O7  1 ? 
HETATM 1743 C  C9  . A1IJV E 3 .   ? -27.727 -27.232 2.334   1.000 42.534  0 304 A1IJV AAA C9  1 ? 
HETATM 1744 O  O10 . A1IJV E 3 .   ? -27.628 -28.456 2.252   1.000 48.548  0 304 A1IJV AAA O10 1 ? 
HETATM 1745 O  O11 . A1IJV E 3 .   ? -28.573 -26.674 3.050   1.000 37.918  0 304 A1IJV AAA O11 1 ? 
HETATM 1746 N  N4  . A1IJV E 3 .   ? -26.278 -25.285 2.306   1.000 38.747  0 304 A1IJV AAA N4  1 ? 
HETATM 1747 C  C19 . A1IJV E 3 .   ? -25.192 -23.383 2.632   1.000 39.855  0 304 A1IJV AAA C19 1 ? 
HETATM 1748 C  C18 . A1IJV E 3 .   ? -26.272 -22.533 2.536   1.000 39.013  0 304 A1IJV AAA C18 1 ? 
HETATM 1749 C  C16 . A1IJV E 3 .   ? -25.063 -20.843 3.769   1.000 45.742  0 304 A1IJV AAA C16 1 ? 
HETATM 1750 O  O21 . A1IJV E 3 .   ? -25.078 -19.567 4.307   1.000 47.695  0 304 A1IJV AAA O21 1 ? 
HETATM 1751 O  O23 . A1IJV E 3 .   ? -27.269 -20.420 3.050   1.000 47.356  0 304 A1IJV AAA O23 1 ? 
HETATM 1752 ZN ZN  . ZN    F 4 .   ? -4.960  -38.732 -18.754 1.000 38.420  0 305 ZN    AAA ZN  1 ? 
HETATM 1753 O  O   . HOH   G 5 .   ? -7.542  -39.108 -14.060 1.000 29.980  0 401 HOH   AAA O   1 ? 
HETATM 1754 O  O   . HOH   G 5 .   ? -11.864 -42.294 2.532   1.000 44.090  0 402 HOH   AAA O   1 ? 
HETATM 1755 O  O   . HOH   G 5 .   ? -29.414 -25.571 -10.633 1.000 34.110  0 403 HOH   AAA O   1 ? 
HETATM 1756 O  O   . HOH   G 5 .   ? -8.087  -46.372 -10.396 1.000 47.760  0 404 HOH   AAA O   1 ? 
HETATM 1757 O  O   . HOH   G 5 .   ? -11.276 -25.890 -20.006 1.000 54.330  0 405 HOH   AAA O   1 ? 
HETATM 1758 O  O   . HOH   G 5 .   ? 4.907   -35.220 -7.668  1.000 31.420  0 406 HOH   AAA O   1 ? 
HETATM 1759 O  O   . HOH   G 5 .   ? -14.197 -27.359 -8.237  1.000 32.470  0 407 HOH   AAA O   1 ? 
HETATM 1760 O  O   . HOH   G 5 .   ? -14.273 -15.884 -19.290 1.000 52.960  0 408 HOH   AAA O   1 ? 
HETATM 1761 O  O   . HOH   G 5 .   ? -6.627  -36.388 -3.320  1.000 33.240  0 409 HOH   AAA O   1 ? 
HETATM 1762 O  O   . HOH   G 5 .   ? -29.686 -18.597 -5.316  1.000 32.620  0 410 HOH   AAA O   1 ? 
HETATM 1763 O  O   . HOH   G 5 .   ? -15.909 -15.946 0.957   1.000 32.550  0 411 HOH   AAA O   1 ? 
HETATM 1764 O  O   . HOH   G 5 .   ? -26.487 -31.834 -14.696 1.000 42.640  0 412 HOH   AAA O   1 ? 
HETATM 1765 O  O   . HOH   G 5 .   ? -1.869  -35.232 3.849   1.000 36.440  0 413 HOH   AAA O   1 ? 
HETATM 1766 O  O   . HOH   G 5 .   ? -2.709  -29.534 -20.384 1.000 34.700  0 414 HOH   AAA O   1 ? 
HETATM 1767 O  O   . HOH   G 5 .   ? 10.732  -29.704 -3.244  1.000 39.540  0 415 HOH   AAA O   1 ? 
HETATM 1768 O  O   . HOH   G 5 .   ? -8.264  -22.563 -17.915 1.000 51.500  0 416 HOH   AAA O   1 ? 
HETATM 1769 O  O   . HOH   G 5 .   ? 3.680   -23.316 -13.870 1.000 40.470  0 417 HOH   AAA O   1 ? 
HETATM 1770 O  O   . HOH   G 5 .   ? -6.765  -34.764 -23.199 1.000 51.240  0 418 HOH   AAA O   1 ? 
HETATM 1771 O  O   . HOH   G 5 .   ? -21.196 -10.459 -8.099  1.000 37.490  0 419 HOH   AAA O   1 ? 
HETATM 1772 O  O   . HOH   G 5 .   ? -28.797 -32.263 -13.160 1.000 55.580  0 420 HOH   AAA O   1 ? 
HETATM 1773 O  O   . HOH   G 5 .   ? -18.223 -17.273 1.245   1.000 28.660  0 421 HOH   AAA O   1 ? 
HETATM 1774 O  O   . HOH   G 5 .   ? -15.552 -13.716 2.064   1.000 41.320  0 422 HOH   AAA O   1 ? 
HETATM 1775 O  O   . HOH   G 5 .   ? -32.665 -19.553 -9.670  1.000 38.840  0 423 HOH   AAA O   1 ? 
HETATM 1776 O  O   . HOH   G 5 .   ? -4.713  -37.564 5.139   1.000 67.230  0 424 HOH   AAA O   1 ? 
HETATM 1777 O  O   . HOH   G 5 .   ? -21.681 -14.665 3.317   1.000 30.520  0 425 HOH   AAA O   1 ? 
HETATM 1778 O  O   . HOH   G 5 .   ? -10.635 -40.158 10.104  1.000 48.320  0 426 HOH   AAA O   1 ? 
HETATM 1779 O  O   . HOH   G 5 .   ? -14.045 -35.550 6.242   1.000 60.080  0 427 HOH   AAA O   1 ? 
HETATM 1780 O  O   . HOH   G 5 .   ? -31.615 -11.950 -4.125  1.000 39.110  0 428 HOH   AAA O   1 ? 
HETATM 1781 O  O   . HOH   G 5 .   ? -22.134 -31.098 -15.524 1.000 33.620  0 429 HOH   AAA O   1 ? 
HETATM 1782 O  O   . HOH   G 5 .   ? -11.740 -21.062 -18.376 1.000 50.960  0 430 HOH   AAA O   1 ? 
HETATM 1783 O  O   . HOH   G 5 .   ? -12.386 -28.111 -21.953 1.000 50.080  0 431 HOH   AAA O   1 ? 
HETATM 1784 O  O   . HOH   G 5 .   ? -11.657 -11.300 -7.852  1.000 35.670  0 432 HOH   AAA O   1 ? 
HETATM 1785 O  O   . HOH   G 5 .   ? 1.504   -34.979 -13.829 1.000 31.820  0 433 HOH   AAA O   1 ? 
HETATM 1786 O  O   . HOH   G 5 .   ? -4.292  -30.910 -12.287 1.000 29.850  0 434 HOH   AAA O   1 ? 
HETATM 1787 O  O   . HOH   G 5 .   ? -6.375  -33.043 -10.307 1.000 29.100  0 435 HOH   AAA O   1 ? 
HETATM 1788 O  O   . HOH   G 5 .   ? 2.935   -41.670 -18.965 1.000 35.900  0 436 HOH   AAA O   1 ? 
HETATM 1789 O  O   . HOH   G 5 .   ? -14.370 -30.202 -7.249  1.000 31.420  0 437 HOH   AAA O   1 ? 
HETATM 1790 O  O   . HOH   G 5 .   ? -19.102 -32.112 -11.651 1.000 32.110  0 438 HOH   AAA O   1 ? 
HETATM 1791 O  O   . HOH   G 5 .   ? -26.223 -22.040 -7.568  1.000 49.510  0 439 HOH   AAA O   1 ? 
HETATM 1792 O  O   . HOH   G 5 .   ? -31.854 -13.495 -14.968 1.000 42.960  0 440 HOH   AAA O   1 ? 
HETATM 1793 O  O   . HOH   G 5 .   ? -27.550 -12.550 8.956   1.000 50.320  0 441 HOH   AAA O   1 ? 
HETATM 1794 O  O   . HOH   G 5 .   ? -17.149 -24.154 -20.836 1.000 61.710  0 442 HOH   AAA O   1 ? 
HETATM 1795 O  O   . HOH   G 5 .   ? -4.766  -32.730 -15.564 1.000 30.590  0 443 HOH   AAA O   1 ? 
HETATM 1796 O  O   . HOH   G 5 .   ? -6.742  -37.470 2.814   1.000 48.150  0 444 HOH   AAA O   1 ? 
HETATM 1797 O  O   . HOH   G 5 .   ? 3.043   -37.314 -14.317 1.000 40.930  0 445 HOH   AAA O   1 ? 
HETATM 1798 O  O   . HOH   G 5 .   ? -7.579  -27.117 9.450   1.000 53.770  0 446 HOH   AAA O   1 ? 
HETATM 1799 O  O   . HOH   G 5 .   ? -20.968 -9.159  -5.833  1.000 33.510  0 447 HOH   AAA O   1 ? 
HETATM 1800 O  O   . HOH   G 5 .   ? -27.470 -8.631  -13.163 1.000 37.910  0 448 HOH   AAA O   1 ? 
HETATM 1801 O  O   . HOH   G 5 .   ? -12.681 -38.709 7.174   1.000 38.520  0 449 HOH   AAA O   1 ? 
HETATM 1802 O  O   . HOH   G 5 .   ? -1.906  -23.745 -15.824 1.000 52.120  0 450 HOH   AAA O   1 ? 
HETATM 1803 O  O   . HOH   G 5 .   ? -10.534 -11.613 -15.120 1.000 48.970  0 451 HOH   AAA O   1 ? 
HETATM 1804 O  O   . HOH   G 5 .   ? -9.863  -34.331 14.353  1.000 57.830  0 452 HOH   AAA O   1 ? 
HETATM 1805 O  O   . HOH   G 5 .   ? 0.589   -8.554  1.159   1.000 55.440  0 453 HOH   AAA O   1 ? 
HETATM 1806 O  O   . HOH   G 5 .   ? -6.704  -31.711 -13.662 1.000 34.830  0 454 HOH   AAA O   1 ? 
HETATM 1807 O  O   . HOH   G 5 .   ? 2.473   -46.633 -15.237 1.000 27.890  0 455 HOH   AAA O   1 ? 
HETATM 1808 O  O   . HOH   G 5 .   ? 6.156   -21.354 -2.943  1.000 45.540  0 456 HOH   AAA O   1 ? 
HETATM 1809 O  O   . HOH   G 5 .   ? 9.203   -22.942 -7.298  1.000 61.010  0 457 HOH   AAA O   1 ? 
HETATM 1810 O  O   . HOH   G 5 .   ? -12.074 -40.225 -4.425  1.000 54.850  0 458 HOH   AAA O   1 ? 
HETATM 1811 O  O   . HOH   G 5 .   ? -19.751 -40.231 -7.017  1.000 50.930  0 459 HOH   AAA O   1 ? 
HETATM 1812 O  O   . HOH   G 5 .   ? -33.133 -24.590 -0.839  1.000 44.130  0 460 HOH   AAA O   1 ? 
HETATM 1813 O  O   . HOH   G 5 .   ? -13.397 -5.484  -2.051  1.000 53.280  0 461 HOH   AAA O   1 ? 
HETATM 1814 O  O   . HOH   G 5 .   ? -14.339 -27.832 7.923   1.000 45.550  0 462 HOH   AAA O   1 ? 
HETATM 1815 O  O   . HOH   G 5 .   ? -25.423 -18.583 -15.202 1.000 36.100  0 463 HOH   AAA O   1 ? 
HETATM 1816 O  O   . HOH   G 5 .   ? -7.211  -38.646 -2.300  1.000 46.690  0 464 HOH   AAA O   1 ? 
HETATM 1817 O  O   . HOH   G 5 .   ? 7.784   -33.513 -15.348 1.000 45.650  0 465 HOH   AAA O   1 ? 
HETATM 1818 O  O   . HOH   G 5 .   ? -7.681  -10.379 4.301   1.000 39.680  0 466 HOH   AAA O   1 ? 
HETATM 1819 O  O   . HOH   G 5 .   ? -20.909 -10.656 17.200  1.000 57.450  0 467 HOH   AAA O   1 ? 
HETATM 1820 O  O   . HOH   G 5 .   ? 4.056   -20.871 -10.177 1.000 60.140  0 468 HOH   AAA O   1 ? 
HETATM 1821 O  O   . HOH   G 5 .   ? -26.884 -20.057 -14.225 1.000 35.020  0 469 HOH   AAA O   1 ? 
HETATM 1822 O  O   . HOH   G 5 .   ? -27.414 -21.680 -5.250  1.000 33.510  0 470 HOH   AAA O   1 ? 
HETATM 1823 O  O   . HOH   G 5 .   ? -8.280  -40.539 -5.578  1.000 52.570  0 471 HOH   AAA O   1 ? 
HETATM 1824 O  O   . HOH   G 5 .   ? -9.109  -38.457 16.770  1.000 64.470  0 472 HOH   AAA O   1 ? 
HETATM 1825 O  O   . HOH   G 5 .   ? -5.940  -31.005 -22.457 1.000 45.470  0 473 HOH   AAA O   1 ? 
HETATM 1826 O  O   . HOH   G 5 .   ? 3.066   -27.264 -16.864 1.000 38.930  0 474 HOH   AAA O   1 ? 
HETATM 1827 O  O   . HOH   G 5 .   ? 1.395   -33.520 6.992   1.000 31.360  0 475 HOH   AAA O   1 ? 
HETATM 1828 O  O   . HOH   G 5 .   ? -12.868 -8.712  -8.077  1.000 41.500  0 476 HOH   AAA O   1 ? 
HETATM 1829 O  O   . HOH   G 5 .   ? 0.612   -27.660 -18.031 1.000 47.240  0 477 HOH   AAA O   1 ? 
HETATM 1830 O  O   . HOH   G 5 .   ? -22.156 -5.894  4.138   1.000 47.760  0 478 HOH   AAA O   1 ? 
HETATM 1831 O  O   . HOH   G 5 .   ? -8.012  -30.679 -16.177 1.000 36.290  0 479 HOH   AAA O   1 ? 
HETATM 1832 O  O   . HOH   G 5 .   ? -4.913  -21.957 9.720   1.000 49.410  0 480 HOH   AAA O   1 ? 
HETATM 1833 O  O   . HOH   G 5 .   ? -15.569 -13.214 10.921  1.000 60.780  0 481 HOH   AAA O   1 ? 
HETATM 1834 O  O   . HOH   G 5 .   ? -9.096  -33.235 -16.350 1.000 28.430  0 482 HOH   AAA O   1 ? 
HETATM 1835 O  O   . HOH   G 5 .   ? -31.578 -13.893 -8.035  1.000 39.180  0 483 HOH   AAA O   1 ? 
HETATM 1836 O  O   . HOH   G 5 .   ? -10.063 -8.864  5.349   1.000 52.420  0 484 HOH   AAA O   1 ? 
HETATM 1837 O  O   . HOH   G 5 .   ? -23.660 -21.944 7.559   1.000 68.930  0 485 HOH   AAA O   1 ? 
HETATM 1838 O  O   . HOH   G 5 .   ? -32.244 -18.643 0.338   1.000 35.290  0 486 HOH   AAA O   1 ? 
HETATM 1839 O  O   . HOH   G 5 .   ? -34.343 -3.700  -7.721  1.000 52.010  0 487 HOH   AAA O   1 ? 
HETATM 1840 O  O   . HOH   G 5 .   ? 1.318   -39.990 -6.829  1.000 32.850  0 488 HOH   AAA O   1 ? 
HETATM 1841 O  O   . HOH   G 5 .   ? -30.072 -23.780 1.243   1.000 49.310  0 489 HOH   AAA O   1 ? 
HETATM 1842 O  O   . HOH   G 5 .   ? -8.929  -39.905 -16.890 1.000 40.850  0 490 HOH   AAA O   1 ? 
HETATM 1843 O  O   . HOH   G 5 .   ? -11.393 -19.321 11.823  1.000 65.100  0 491 HOH   AAA O   1 ? 
HETATM 1844 O  O   . HOH   G 5 .   ? -29.950 -6.131  -12.033 1.000 67.340  0 492 HOH   AAA O   1 ? 
HETATM 1845 O  O   . HOH   G 5 .   ? -21.594 -24.065 -20.173 1.000 41.850  0 493 HOH   AAA O   1 ? 
HETATM 1846 O  O   . HOH   G 5 .   ? 1.234   -34.828 -18.514 1.000 35.020  0 494 HOH   AAA O   1 ? 
HETATM 1847 O  O   . HOH   G 5 .   ? -33.299 -22.541 -11.928 1.000 54.330  0 495 HOH   AAA O   1 ? 
HETATM 1848 O  O   . HOH   G 5 .   ? -15.748 -29.065 -22.416 1.000 52.540  0 496 HOH   AAA O   1 ? 
HETATM 1849 O  O   . HOH   G 5 .   ? -23.083 -5.747  0.246   1.000 33.580  0 497 HOH   AAA O   1 ? 
HETATM 1850 O  O   . HOH   G 5 .   ? -26.761 -16.177 -18.856 1.000 36.650  0 498 HOH   AAA O   1 ? 
HETATM 1851 O  O   . HOH   G 5 .   ? -18.123 -34.567 0.016   1.000 42.360  0 499 HOH   AAA O   1 ? 
HETATM 1852 O  O   . HOH   G 5 .   ? -4.158  -15.881 -7.027  1.000 54.440  0 500 HOH   AAA O   1 ? 
HETATM 1853 O  O   . HOH   G 5 .   ? 3.803   -36.355 -0.712  1.000 37.010  0 501 HOH   AAA O   1 ? 
HETATM 1854 O  O   . HOH   G 5 .   ? -10.245 -8.408  -13.751 1.000 68.960  0 502 HOH   AAA O   1 ? 
HETATM 1855 O  O   . HOH   G 5 .   ? -6.941  -19.642 11.342  1.000 47.050  0 503 HOH   AAA O   1 ? 
HETATM 1856 O  O   . HOH   G 5 .   ? -12.237 -18.279 -18.484 1.000 46.350  0 504 HOH   AAA O   1 ? 
HETATM 1857 O  O   . HOH   G 5 .   ? -15.839 -33.686 -5.193  1.000 52.280  0 505 HOH   AAA O   1 ? 
HETATM 1858 O  O   . HOH   G 5 .   ? 8.954   -23.015 5.872   1.000 42.060  0 506 HOH   AAA O   1 ? 
HETATM 1859 O  O   . HOH   G 5 .   ? 4.745   -36.295 -12.287 1.000 43.100  0 507 HOH   AAA O   1 ? 
HETATM 1860 O  O   . HOH   G 5 .   ? -1.243  -35.084 6.417   1.000 35.600  0 508 HOH   AAA O   1 ? 
HETATM 1861 O  O   . HOH   G 5 .   ? -9.759  -28.722 11.563  1.000 55.110  0 509 HOH   AAA O   1 ? 
HETATM 1862 O  O   . HOH   G 5 .   ? -5.172  -30.317 12.186  1.000 52.430  0 510 HOH   AAA O   1 ? 
HETATM 1863 O  O   . HOH   G 5 .   ? -2.269  -37.216 7.854   1.000 31.040  0 511 HOH   AAA O   1 ? 
HETATM 1864 O  O   . HOH   G 5 .   ? -5.818  -20.205 -18.248 1.000 49.330  0 512 HOH   AAA O   1 ? 
HETATM 1865 O  O   . HOH   G 5 .   ? -35.441 -25.567 -0.810  1.000 47.380  0 513 HOH   AAA O   1 ? 
HETATM 1866 O  O   . HOH   G 5 .   ? -1.027  -42.432 -5.918  1.000 70.540  0 514 HOH   AAA O   1 ? 
HETATM 1867 O  O   . HOH   G 5 .   ? -25.282 -17.883 -18.210 1.000 41.300  0 515 HOH   AAA O   1 ? 
HETATM 1868 O  O   . HOH   G 5 .   ? -2.851  -7.212  -3.729  1.000 52.870  0 516 HOH   AAA O   1 ? 
HETATM 1869 O  O   . HOH   G 5 .   ? -11.412 -30.513 11.656  1.000 41.220  0 517 HOH   AAA O   1 ? 
HETATM 1870 O  O   . HOH   G 5 .   ? -0.561  -35.076 -20.428 1.000 50.230  0 518 HOH   AAA O   1 ? 
HETATM 1871 O  O   . HOH   G 5 .   ? -3.226  -31.282 -22.791 1.000 42.900  0 519 HOH   AAA O   1 ? 
HETATM 1872 O  O   . HOH   G 5 .   ? 2.422   -39.835 2.726   1.000 45.110  0 520 HOH   AAA O   1 ? 
HETATM 1873 O  O   . HOH   G 5 .   ? -0.110  -25.247 -17.110 1.000 52.240  0 521 HOH   AAA O   1 ? 
HETATM 1874 O  O   . HOH   G 5 .   ? -2.658  -26.959 -21.503 1.000 37.820  0 522 HOH   AAA O   1 ? 
HETATM 1875 O  O   . HOH   G 5 .   ? -6.293  -28.370 -23.796 1.000 44.000  0 523 HOH   AAA O   1 ? 
HETATM 1876 O  O   . HOH   G 5 .   ? -18.288 -7.294  -12.804 1.000 63.720  0 524 HOH   AAA O   1 ? 
HETATM 1877 O  O   . HOH   G 5 .   ? -2.309  -30.052 -24.999 1.000 61.780  0 525 HOH   AAA O   1 ? 
HETATM 1878 O  O   . HOH   G 5 .   ? -1.841  -26.904 -24.195 1.000 51.660  0 526 HOH   AAA O   1 ? 
# 
